{"id":36,"date":"2018-08-28T16:45:56","date_gmt":"2018-08-28T15:45:56","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf3\/?page_id=36"},"modified":"2018-09-28T14:51:40","modified_gmt":"2018-09-28T13:51:40","slug":"a-z","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/software\/a-z\/","title":{"rendered":"A-Z List of Software"},"content":{"rendered":"<p>Not all software is accessible to all users. Where restrictions apply, typically licensing, this is detailed in the documentation.<\/p>\n<div class=\"hidden\">\n<h3>Instructions only shown to logged-in users<\/h3>\n<p>The table shown here is auto-populated. When editing a software app&#8217;s page, ensure the page&#8217;s custom field values <code>RI_Summary<\/code> is set to a short description and <code>RI_Cat<\/code> is set to at least one of the category names (can be a comma separated list of them) listed in the applications \/ libraries \/ compilers \/ tools pages (see menu).\n<\/div>\n<table class=\"striped\"><thead><tr><th width=\"30%\">PACKAGE<\/th><th>NOTES<\/th><\/tr><\/thead><tbody><tr><td><a href=\"\/csf3\/software\/tools\/dotnet\/\">.NET<\/a><\/td><td>.NET is the C# runtime <\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/abaqus\/\">ABAQUS<\/a><\/td><td>Finite Element Analysis package<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/acpype\/\">ACPYPE<\/a><\/td><td>Generate topologies for chemical compounds<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/adf\/\">ADF\/AMS<\/a><\/td><td>Amsterdam Modeling Suite (DFT, semi-empirical, reactive force fields and fluid thermodynamics)<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/apt\/\">Affymetrix Power Tools (APT)<\/a><\/td><td>Algorithms for analyzing and working with GeneChip\u2122 arrays<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/aimall\/\">AIMall<\/a><\/td><td>Software for performing quantitative and visual QTAIM (Quantum Theory of Atoms in Molecules) analyses of molecular systems.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/alphafold\/\">Alphafold 2<\/a><\/td><td>application for predicting models of protein structures<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/alphafold3\/\">Alphafold 3<\/a><\/td><td>A program developed by Google DeepMind and Isomorphic Labs to efficiently predict protein structures.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/amber\/\">AMBER<\/a><\/td><td>A general purpose molecular mechanics\/dynamics suite<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/amico\/\">AMICO<\/a><\/td><td>Diffusion magnetic resonance data processing in python<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/anaconda-python\/\">Anaconda Python<\/a><\/td><td>A scientific python distribution<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/answers\/\">ANSWERS<\/a><\/td><td>A suite of monte-carlo nuclear simulation tools<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fluent\/\">Ansys Fluent<\/a><\/td><td>A computational fluid dynamics package<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/ansys-mechanical\/\">Ansys Mechanical<\/a><\/td><td>Ansys finite element analysis application<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/apache-spark\/\">Apache Spark<\/a><\/td><td>Cluster computing with Hadoop<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/aspera\/\">Aspera<\/a><\/td><td>ascp fast downloader<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/autodock\/\">Autodock4 and Vina<\/a><\/td><td>Autodock4 and Vina \u2013 Molecular docking tools<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/avogadro2\/\">Avogadro2<\/a><\/td><td>Molecular editor and visualization.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/awscli\/\">AWS CLI<\/a><\/td><td>AWS command line interface<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/bbtools\/\">BBTools<\/a><\/td><td>Suite of tools designed for analysis of DNA and RNA sequence data.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/bcftools\/\">bcftools<\/a><\/td><td>utilities that manipulate variant calls in the VCF and BCF file formats<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/a-z\/beast-2\/\">BEAST 2<\/a><\/td><td>Bayesian phylogenetic analysis of molecular sequences<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/bioinf\/\">Bio-informatics Helper Modulefile<\/a><\/td><td>Modulefile to make more Bio-informatics apps available<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/blast\/\">BLAST<\/a><\/td><td>suite of tools for comparing primary biological sequence information<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/boost\/\">Boost<\/a><\/td><td>C++ library.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/bowtie2\/\">Bowtie2<\/a><\/td><td>tool for aligning sequencing reads to long reference sequences.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/breseq\/\">Breseq<\/a><\/td><td>Short-read DNA re-sequencing data processing<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/bwa-mem2\/\">bwa-mem2<\/a><\/td><td>Burrow-Wheeler Aligner<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/canu\/\">Canu<\/a><\/td><td>Hierarchical assembly pipeline for high-noise single-molecule sequencing.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/carla\/\">CARLA<\/a><\/td><td>Autonomous driving systems using the Unreal Engine.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/castep\/\">CASTEP<\/a><\/td><td>CASTEP is a leading code for calculating the properties of materials from first principles<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/castepconv\/\">CASTEPconv<\/a><\/td><td>Script to automate CASTEP convergence calculations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/cell2location\/\">Cell2Location<\/a><\/td><td>Python based transcriptomics for cells<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/cfx\/\">CFX<\/a><\/td><td>CFX is a general purpose fluid dynamics product from ANSYS<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/chainer\/\">Chainer<\/a><\/td><td>Deep-learning GPU-capable framework in python<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/charmm\/\">CHARMM<\/a><\/td><td>Macromolecular mechanics<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/checkm\/\">CheckM<\/a><\/td><td>Quality assessment of genomes recovered from isolates, single cells, or metagenomes.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/chemshell\/\">ChemShell<\/a><\/td><td>Interactive shell for computational chemistry calculations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/chimera\/\">Chimera \/ ChimeraX<\/a><\/td><td>UCSF Chimera is a highly extensible program for interactive visualization and analysis of molecular structures.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/cmake\/\">cmake<\/a><\/td><td>Cross-platform, open-source build system<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/codeaster\/\">Code_Aster<\/a><\/td><td>21.02.2019 - This application is being installed. Docs will be updated when it is available.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/codesaturne\/\">Code_Saturne<\/a><\/td><td>21.02.2019 - This application is being installed. Docs will be updated when it is available.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/colmap\/\">COLMAP<\/a><\/td><td>general-purpose Structure-from-Motion (SfM) and Multi-View Stereo (MVS) pipeline<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/compucell3d\/\">Compucell3d<\/a><\/td><td>Virtual Tissue in silico simulation modelling environment.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/comsol\/\">COMSOL<\/a><\/td><td>Multiphysics solver<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/conda\/\">Conda - Miniforge3<\/a><\/td><td>The Conda package and environment manager.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/contig-extender\/\">ContigExtender (contig-extender)<\/a><\/td><td>Extend contigs, complementing de novo assembly.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/coverm\/\">CoverM<\/a><\/td><td>Fast DNA read coverage and relative abundance calculator focused on metagenomics applications.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/cp2k\/\">CP2K<\/a><\/td><td>Atomistic and molecular simulations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/critic2\/\">Critic2<\/a><\/td><td>Analysis of quantum mechanical calculation results in molecules and periodic solids.<\/td><\/tr><tr><td><a href=\"\/csf3\/crystal\/\">CRYSTAL<\/a><\/td><td>Ab initio simulations of periodic systems<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/crystal-analysis-tool\/\">Crystal Analysis Tool (draft)<\/a><\/td><td>Code for analysing output of atomistic simulations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/csd\/\">CSD-System<\/a><\/td><td>The Cambridge Structural Database<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/cuda-torch\/\">cuda-torch<\/a><\/td><td>GPU enabled machine learning framework<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/cuda\/\">CUDA, cuDNN, NCCL, TensorRT and HPC-SDK<\/a><\/td><td>Nvidia CUDA libraries and compiler<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/curl\/\">Curl and libcurl<\/a><\/td><td>Downloader and development library<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/dakota\/\">Dakota<\/a><\/td><td>A Multilevel Parallel Object-Oriented Optimization Framework<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/damask\/\">DAMASK<\/a><\/td><td>DAMASK is used for the simulation of crystal plasticity within a finite-strain continuum mechanical framework.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/dcm2niix\/\">dcm2niix<\/a><\/td><td>DICOM to the NIfTI file converter<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/deeplabcut\/\">DeepLabCut<\/a><\/td><td>Tensorflow based markerless pose estimation of animals performing various tasks.<\/td><\/tr><tr><td><a href=\"\/csf3\/batch-slurm\/deleting-jobs-slurm\/\">Deleting or Modifying Jobs (Slurm)<\/a><\/td><td>Deleting or Modifying Jobs<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/dfnworks\/\">dfnWorks<\/a><\/td><td>Parallelized three-dimensional discrete fracture networks (DFN) creation and simulation of flow and transport.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/diamond\/\">Diamond<\/a><\/td><td>Sequence aligner for protein and translated DNA searches<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/dlmeso\/\">DL_MESO<\/a><\/td><td>General purpose mesoscale simulation package. LBE and DPD.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/dlmonte2\/\">DL_MONTE2<\/a><\/td><td>Monte Carlo simulation of condensed phases.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/dl_poly\/\">DL_POLY<\/a><\/td><td>General purpose classical molecular dynamics<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/dualsphysics\/\">DualSPhysics<\/a><\/td><td>DualSPhysics - for free-surface flow phenomena where Eulerian methods can be difficult to apply.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/eggnog-mapper\/\">eggNOG mapper<\/a><\/td><td>Fast functional annotation of novel sequences.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/emsoft\/\">EMsoft<\/a><\/td><td>Computation and visualization of scanning electron microscopy diffraction patterns.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fasta_number\/\">Fasta_number<\/a><\/td><td>Replace FASTA labels with xxx1, xxx2, xxx3 etc, where xxx is a prefix provided as a commend-line argument. Used e.g. to label OTUs as OTU_1, OTU_2 etc.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fastani\/\">FastANI<\/a><\/td><td>Fast alignment-free computation of whole-genome Average Nucleotide Identity<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fasttree\/\">FastTree<\/a><\/td><td>Infer approximately-maximum-likelihood phylogenetic trees from alignments of nucleotide or protein sequences.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fds\/\">FDS<\/a><\/td><td>Large-eddy simulation (LES) code for low-speed flows, with an emphasis on smoke and heat transport from fires.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/feat-wmt\/\">FEAT-WMT<\/a><\/td><td>Finite Element Weld Modelling Tool.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fegenie\/\">FeGenie<\/a><\/td><td>Identify potential homologs and operons that may be linked to the microbial iron cycle<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fepx\/\">FEPX<\/a><\/td><td>Polycrystal Generation and Meshing<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/fftw\/\">FFTW<\/a><\/td><td>FFTW - Fast Fourier Transfrom library<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fico-xpress\/\">fico-xpress<\/a><\/td><td>21.02.2019 - This application is being installed. Docs will be updated when it is available.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/flame\/\">Flame<\/a><\/td><td>Agent-based modelling system<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/freesurfer\/\">Freesurfer<\/a><\/td><td>Processing and visualisation of structural and functional brain imaging data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/fsl\/\">FSL<\/a><\/td><td>Library of analysis tools for FMRI, MRI and DTI brain imaging data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gamess-us\/\">GAMESS-US<\/a><\/td><td>A general ab initio quantum chemistry package.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gatk\/\">GATK<\/a><\/td><td>Variant discovery and genotyping tools<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gaussian\/\">Gaussian 09<\/a><\/td><td>Performs semi-empirical and ab-initio molecular orbital calculations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gaussian16\/\">Gaussian 16<\/a><\/td><td>Performs semi-empirical and ab-initio molecular orbital calculations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gaussian16-linda\/\">Gaussian16 Linda (multinode)<\/a><\/td><td>Multi-node version of Gaussian<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/gdal\/\">GDAL<\/a><\/td><td>Translator library for raster and vector geospatial data formats<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/geant-4\/\">Geant 4<\/a><\/td><td>Geant4 is a toolkit for the simulation of the passage of particles through matter.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/gedit\/\">gedit - a simple text editor<\/a><\/td><td>A simple text editor, similar to notepad<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/genx\/\">GenX<\/a><\/td><td>Refine x-ray, neutron reflectivity data and surface x-ray diffraction data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/geochemfoam\/\">GeoChemFoam<\/a><\/td><td>An open source pore-scale numerical simulator based on OpenFOAM<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/geos\/\">GEOS<\/a><\/td><td>C++ port of the Java Topology Suite (JTS)<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/git\/\">git &amp; git-lfs<\/a><\/td><td>Version Control<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gnina\/\">gnina<\/a><\/td><td>A deep learning framework for molecular docking<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/compilers\/gnu\/\">GNU Compilers<\/a><\/td><td>gcc, g++ and gfortran<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/gnuplot\/\">Gnuplot<\/a><\/td><td>A command-line driven graphing utility.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/goldsuite\/\">Gold suite<\/a><\/td><td>Protein Docking<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gprmax\/\">gprMax<\/a><\/td><td>Electromagnetic wave propagation simulation<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gpyro\/\">gpyro<\/a><\/td><td>Models the thermal response of solid materials exposed to radiative or convective heating<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/grace\/\">Grace \/ xmgrace<\/a><\/td><td>2D interactive plotting tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gromacs\/\">GROMACS<\/a><\/td><td>Molecular Dynamics simulation package.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/gtdb-tk\/\">GTDB-tk<\/a><\/td><td>Toolkit for assigning objective taxonomic classifications to bacterial and archaeal genomes based on the Genome Database Taxonomy.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/guppy\/\">Guppy<\/a><\/td><td>GPU enabled basecaller<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/hdf5\/\">HDF5<\/a><\/td><td>Library and tools to process hierarchical data format files for large scientific data files.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/hmmratac\/\">HMMRATAC<\/a><\/td><td>HMMRATAC peak caller for ATAC-seq data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/homer\/\">HOMER<\/a><\/td><td>Software for motif discovery and next generation sequencing analysis<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/hoomd-blue\/\">HOOMD-blue<\/a><\/td><td>Hard-particle Monte Carlo simulations toolkit<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/hypre\/\">HYPRE<\/a><\/td><td>High performance preconditioners and solvers featuring multigrid methods<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/compilers\/intel\/\">Intel Compilers<\/a><\/td><td>icc, icpc and ifort (no longer recommended please use intel oneAPI) <\/td><\/tr><tr><td><a href=\"\/csf3\/software\/compilers\/intel-oneapi\/\">Intel oneAPI<\/a><\/td><td>icx, icpx and ifx (recommended when compiling your own software on the CSF)<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/interproscan\/\">InterProScan<\/a><\/td><td>Scan sequences against InterPro&#039;s member database signatures<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/compilers\/ispc\/\">ispc<\/a><\/td><td>Intel ispc experimental SPMD compiler<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/jags\/\">JAGS<\/a><\/td><td>Program for analysis of Bayesian hierarchical models using Markov Chain Monte Carlo (MCMC) simulation  not wholly unlike BUGS.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/compilers\/javac\/\">Java Compilers<\/a><\/td><td>Java compiler<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/jpeg\/\">JPEG<\/a><\/td><td>Independent JPEG Group&#039;s JPEG library and tools<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/julia\/\">Julia<\/a><\/td><td>Power mathematical programming and scripting language with native parallel capability<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/jupyter-notebook-slurm\/\">Jupyter Notebook (slurm)<\/a><\/td><td>Web-based python notebook<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/kaiju\/\">Kaiju<\/a><\/td><td>Taxonomic classification of high-throughput sequencing reads.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/kas-analyzer\/\">KAS-Analyzer<\/a><\/td><td>a new comprehensive computational framework for exploring KAS-seq data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/keras\/\">Keras<\/a><\/td><td>Neural Network python API using Tensorflow<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/lammps\/\">LAMMPS<\/a><\/td><td>Classical molecular dynamics code.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/lens\/\">lens (Light Efficient Network Simulator)<\/a><\/td><td>Lens is an efficient, yet flexible, neural network simulator that runs on a variety of platforms, is able to handle large, complex simulations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/lofreq\/\">LoFreq<\/a><\/td><td>Fast and sensitive variant calling from next-gen sequencing data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/ls-dyna\/\">LS-DYNA<\/a><\/td><td>A general purpose explicit solver from ANSYS<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/macs\/\">MACS<\/a><\/td><td>Model-based Analysis of ChIP-Seq (MACS)<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mafft\/\">MAFFT<\/a><\/td><td>Multiple alignment program for amino acid or nucleotide sequences<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/materials-studio\/\">Materials Studio<\/a><\/td><td>Materials modelling and simulation application (chemical, materials, pharmaceutical)<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mathematica\/\">Mathematica<\/a><\/td><td>Numeric and symbolic computing and programming<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/matlab\/\">MATLAB<\/a><\/td><td>Numerical computation, visualization and programming<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/maxbin\/\">MaxBin<\/a><\/td><td>Binning assembled metagenomic sequences<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/maxquant\/\">MaxQuant<\/a><\/td><td>proteomics software package<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mdanalysis\/\">MDAnalysis<\/a><\/td><td>Python library to analyze trajectories from molecular dynamics (MD) simulations.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/medaka\/\">Medaka<\/a><\/td><td>Create a consensus sequence from nanopore sequencing data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/megahit\/\">MEGAHIT<\/a><\/td><td>Fast metagenomics assembly tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/memesuite\/\">MemeSuite<\/a><\/td><td>Motif-based sequence analysis tools<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mro\/\">Microsoft R Open (MRO)<\/a><\/td><td>Statistical computing and graphics. Includes bioconductor.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/minimap2\/\">Minimap2<\/a><\/td><td>Sequence alignment<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mirdeep2\/\">miRDeep2<\/a><\/td><td>Discovers active known or novel miRNAs from deep sequencing data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/mkl\/\">MKL<\/a><\/td><td>Intel Math Kernel Library of optimized maths routines<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/modeltest-ng\/\">Modeltest-NG<\/a><\/td><td>Selection of best-fit model of evolution for DNA and protein alignments<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/moe\/\">MOE<\/a><\/td><td>Molecular Operating Environment<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/molcasuu\/\">MOLCAS@UU<\/a><\/td><td>Ab initio quantum chemistry software<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/molden\/\">MOLDEN<\/a><\/td><td>Molecular Graphics Visualisation Tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/molpro\/\">Molpro<\/a><\/td><td>Ab initio quantum chemistry software<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/monai\/\">Monai<\/a><\/td><td>Framework for deep learning in healthcare imaging<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mopac\/\">mopac<\/a><\/td><td>Semiempirical quantum chemistry software package<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mothur\/\">Mothur<\/a><\/td><td>Tool for processing data generated from several DNA sequencing methods<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/openmpi\/\">MPI (OpenMPI)<\/a><\/td><td>Message Passing Interface library<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mrbayes\/\">MrBayes<\/a><\/td><td>Bayesian Inference of Phylogeny<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mricron\/\">MRIcron<\/a><\/td><td>NIfTI format image viewer<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/multiwfn\/\">Multiwfn<\/a><\/td><td>electronic wavefunction analysis methods<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/mumax\/\">mumax<\/a><\/td><td>GPU-accelerated micromagnetic simulation<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/naglibraries\/\">NAG Libraries<\/a><\/td><td>User callable routines for mathematical and statistical computation<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/namd\/\">NAMD<\/a><\/td><td>21.02.2019 - This application is being installed. Docs will be updated when it is available.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/nbo\/\">NBO<\/a><\/td><td>Natural Bond Orbital program (Electron analysis)<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/neper\/\">Neper<\/a><\/td><td>Polycrystal Generation and Meshing<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/nextflow\/\">Nextflow<\/a><\/td><td>A system for creating scalable, portable, and reproducible workflows<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/ninja\/\">ninja<\/a><\/td><td>Software build system<\/td><\/tr><tr><td><a href=\"\/csf3\/batch-slurm\/gpu-jobs-slurm\/h200\/\">Nvidia H200 GPUs<\/a><\/td><td>Nvidia H200 GPUs<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/nvitop\/\">nvitop<\/a><\/td><td>NVidia GPU graphical monitoring<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/nwchem\/\">NWChem<\/a><\/td><td>ab initio quantum chemistry<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/ollama\/\">Ollama<\/a><\/td><td>Run large language models (LLMs) such as gpt-oss, Gemma 3, DeepSeek-R1, Qwen3 and more.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/onetep\/\">ONETEP<\/a><\/td><td>Linear-scaling code for quantum-mechanical calculations based on density-functional theory.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/opal\/\">OPAL<\/a><\/td><td>Parallel open source tool for charged-particle optics in linear accelerators<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/openbabel\/\">Openbabel<\/a><\/td><td>Open Babel is a chemical toolbox designed to search, convert, analyze, or store data from molecular modelling, chemistry, solid-state materials, biochemistry, or related areas.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/openeye\/\">Openeye<\/a><\/td><td>A portfolio of molecular modeling applications for pharmaceutical research.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/openfoam\/\">OpenFOAM<\/a><\/td><td>Fluid dynamics platform<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/openmolcas\/\">OpenMolcas<\/a><\/td><td>Quantum chemistry software package using a multiconfigurational approach to the electronic structure.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/openmp\/\">OpenMP<\/a><\/td><td>Open Multi-Processing library<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/orca\/\">ORCA<\/a><\/td><td>Ab initio, DFT and semiempirical SCF-MO package for quantum chemistry<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/ovito\/\">ovito<\/a><\/td><td>Scientific visualization and analysis of atomistic simulation data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/p7zip\/\">p7zip<\/a><\/td><td>7z archive compression and decompression<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/packmol\/\">Packmol<\/a><\/td><td>Initial configurations for Molecular Dynamics Simulations by packing optimization<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/paraview\/\">ParaView<\/a><\/td><td>Scientific data visualization using parallel software rendering.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/partmc\/\">PartMC<\/a><\/td><td>Monte Carlo code for atmospheric aerosol simulation<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/pbmpi\/\">PBMPI<\/a><\/td><td>Bayesian phylogenetic reconstruction<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/compilers\/pgi\/\">PGI Compilers<\/a><\/td><td>PGI c\/c++\/fortran\/openacc compilers<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/phenix-rosetta\/\">Phenix and Rosetta Commons<\/a><\/td><td>Python-based Hierarchical ENvironment for Integrated Xtallography<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/pigz\/\">pigz and unpigz<\/a><\/td><td>Parallel gzip file compression\/decompression<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/prisms-pf\/\">PRISMS-PF<\/a><\/td><td>Parallel finite element code for microstructural evolution<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/prodigal\/\">Prodigal<\/a><\/td><td>Protein-coding gene prediction.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/proj\/\">PROJ<\/a><\/td><td>Geospatial coordinates coordinate reference system transformations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/prokka\/\">Prokka<\/a><\/td><td>Annotate bacterial, archaeal and viral genomes<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/proxy\/\">Proxy (for web downloads)<\/a><\/td><td>Envronment setup to give name of proxy server<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/psa\/\">PSA<\/a><\/td><td>Chemistry related app<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/pubchempy\/\">PubChemPy<\/a><\/td><td>PubChem interaction in Python<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/pycharm\/\">PyCharm<\/a><\/td><td>Python IDE<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/pymol\/\">Pymol<\/a><\/td><td>Pymol is a molecular visualisation tool.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/pyro-ppl\/\">pyro-ppl<\/a><\/td><td>Universal probabilistic programming language (PPL) written in Python and supported by PyTorch on the backend<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/pytorch\/\">PyTorch<\/a><\/td><td>Deep learning framework in python<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/q-chem\/\">Q-Chem<\/a><\/td><td>Q-Chem is a comprehensive ab initio quantum chemistry program. Q-Chem&#039;s capabilities facilitate applications in pharmaceuticals, materials science, biochemistry and other fields.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/quantum-espresso\/\">Quantum Espresso<\/a><\/td><td>Ab initio simulations of periodic systems<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/r\/\">R &amp; bioconductor<\/a><\/td><td>Statistical computing and graphics. Includes bioconductor.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/raxml\/\">RAxML<\/a><\/td><td>Maximum Likelihood based inference of large phylogenetic trees<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/relion\/\">Relion<\/a><\/td><td>Statistical Cryo-EM reconstruction<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/repeatmasker\/\">RepeatMasker<\/a><\/td><td> screens DNA sequences for interspersed repeats and low complexity DNA sequences<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/rosetta\/\">Rosetta Commons<\/a><\/td><td>Algorithms for computational modeling and analysis of protein structures<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/rsem\/\">RSEM<\/a><\/td><td>Software package for estimating gene and isoform expression levels from RNA-Seq data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/rstudio\/\">RStudio<\/a><\/td><td>GUI-based development environment for R<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/salmon\/\">Salmon<\/a><\/td><td>Transcript quantification from RNA-seq data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/samtools\/\">SAMTools<\/a><\/td><td>Tools for manipulating alignments in the SAM format<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/scikitcuda\/\">scikit-cuda<\/a><\/td><td>Python interfaces to many of the functions in the CUDA device\/runtime libraries.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/sclimbic\/\">ScLimbic<\/a><\/td><td>Automatic brain image segment<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/scons\/\">SCons<\/a><\/td><td>Software configuration tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/serpent\/\">Serpent<\/a><\/td><td>Monte-carlo Nuclear reactor physics<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/singularity\/\">Singularity \/ Apptainer<\/a><\/td><td>Container execution<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/slim\/\">SLiM<\/a><\/td><td>Evolutionary simulation framework<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/snptest\/\">SNPTest<\/a><\/td><td>Program for the analysis of single SNP association in genome-wide studies.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/spades\/\">SPAdes<\/a><\/td><td>Genome assembler toolkit<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/sqlitebrowser\/\">SQLite browser (DB4S)<\/a><\/td><td>Graphical browser for sqlite files<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/star\/\">STAR<\/a><\/td><td>Spliced Transcripts Alignment to a Reference<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/starccm\/\">StarCCM+<\/a><\/td><td>A computation continuum mechanics application<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/structure\/\">Structure<\/a><\/td><td>Software package for using multi-locus genotype data to investigate population structure.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/subread\/\">subread<\/a><\/td><td>a tool kit for processing next-gen sequencing data<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/svn\/\">Subversion (svn)<\/a><\/td><td>Version Control<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/tbb\/\">TBB<\/a><\/td><td>Intel Thread Building Blocks for parallel software development.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/telemac\/\">Telemac<\/a><\/td><td>Free-surface flow solvers.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/tensorflow\/\">Tensorflow<\/a><\/td><td>Data flow graph processing on GPUs and CPUs<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/tetranscripts\/\">TEtranscripts<\/a><\/td><td>Including transposable elements in differential enrichment analysis of sequencing datasets.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/theano\/\">theano<\/a><\/td><td>21.02.2019 - This application is being installed. Docs will be updated when it is available.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/towhee\/\">Towhee<\/a><\/td><td>Towhee is a Monte Carlo molecular simulation code.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/trimmomatic\/\">Trimmomatic<\/a><\/td><td>Program to perform a variety of useful trimming tasks for Illumina paired-end and single ended data.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/turbomole\/\">TURBOMOLE<\/a><\/td><td>Quantum chemistry \u2013 electronic structure calculations<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/libraries\/udunits\/\">UDUNITS<\/a><\/td><td>C library and tool for units of physical quantities<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/ukbiobank\/\">UKBioBank Helper Modulefile<\/a><\/td><td>Environment variables to help access UK BioBank full-release datasets.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/ummap\/\">UMMAP<\/a><\/td><td>UMMAP is a trajectory analysis package for molecular dynamics type simulations.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/unzip\/\">unzip<\/a><\/td><td>Extract files from zip archives<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/usearch\/\">USEARCH<\/a><\/td><td>Sequence analysis tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/vasp\/\">VASP<\/a><\/td><td>The Vienna Ab initio Simulation Package<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/visual-colloids\/\">Visual Colloids<\/a><\/td><td>Visual Colloids is used to produce images of colloidal systems.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/vmd\/\">VMD<\/a><\/td><td>Molecular Graphics Visualisation Tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/votca\/\">Votca<\/a><\/td><td>VOTCA is a software package which focuses on the analysis of molecular dynamics data.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/vscode\/\">VSCode<\/a><\/td><td>A popular source-code editor by Microsoft.<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/vsearch\/\">VSEARCH<\/a><\/td><td>Sequence analysis tool<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/wps\/\">WPS<\/a><\/td><td>Weather Research and Forecasting Preprocessors<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/applications\/wrf\/\">WRF<\/a><\/td><td>Weather Research and Forecasting<\/td><\/tr><tr><td><a href=\"\/csf3\/wrf-chem\/\">WRF-Chem<\/a><\/td><td>Weather Research and Forecasting (WRF) model coupled with Chemistry<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/xnedit\/\">xnedit - a simple text editor<\/a><\/td><td>A simple text editor, similar to Notepad<\/td><\/tr><tr><td><a href=\"\/csf3\/software\/tools\/zstd\/\">zstd<\/a><\/td><td>fast lossless compression algorithm, targeting real-time compression scenarios at zlib-level and better compression ratios<\/td><\/tr><\/tbody><\/table>\n","protected":false},"excerpt":{"rendered":"<p>Not all software is accessible to all users. Where restrictions apply, typically licensing, this is detailed in the documentation. Instructions only shown to logged-in users The table shown here is auto-populated. When editing a software app&#8217;s page, ensure the page&#8217;s custom field values RI_Summary is set to a short description and RI_Cat is set to at least one of the category names (can be a comma separated list of them) listed in the applications \/.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/software\/tools\/zstd\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":33,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-36","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/36","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/comments?post=36"}],"version-history":[{"count":10,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/36\/revisions"}],"predecessor-version":[{"id":477,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/36\/revisions\/477"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/pages\/33"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf3\/wp-json\/wp\/v2\/media?parent=36"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}