Infinity - Software and Job Management System

/ Categories Include versions

Artificial Intelligence & Machine Learning

• msty
• ollama
• ollama-models-lcc
• pygpt

Chemo & Bioinformatics

• R
• aliview
• bedtools
• blast
• csblast
• cutadapt
• emboss
• fastqc
• jalview
• ligplot+
• mc-annotate
• ollama
• ollama-models-lcc
• pdbsum1
• rdkit
• rnaview
• samtools
• stride
• ugene

Conversion and Analysis

• 3dna
• R
• anaconda3
• cats
• dyndom
• matlab
• msms
• openbabel
• pdb2pqr
• pdbsum1
• pmflib
• rdkit
• retinal
• symmol
• wham
• zotero

Crystalography, Electron Tomography, & Small-angle Scattering

• arp_warp
• atsas
• ccp4
• generate-adx
• mercury
• phenix
• xds
• xds-viewer
• xds2sad
• xdsapp
• xdsstat

Development

• anaconda3
• cmake
• git
• hpckit
• openmpi-gcc
• openmpi-hpckit
• pycharm-edu
• qt
• qtcreator
• rdkit
• vscode
• wingide-personal

Docking and Virtual Screening

• adfr-suite
• autodock
• autodock-vina
• diffdock-l
• dock
• gnina
• meeko
• mgltools

Molecular Mechanics and Dynamics

• amber
• apbs
• dynutil
• gromacs
• gromacs-plumx
• plumed
• pmemd
• pmemd-cuda
• pmemd-pmf
• pmflib
• pmflib-drivers
• pmflib-drivers-24
• sander-pmf
• solvate

NMR Spectroscopy

• cara
• ccpnmr
• nmrpipe
• peakfit
• poky
• sparky

Quantum Mechanics and Dynamics

• adf
• aimall
• chargemol
• crest
• gaussian
• gaussview
• gennbo
• multiwfn
• nbo
• orca
• paramagpy
• promolden
• qmutil
• respect
• turbomole
• xtb

Structure Prediction

• alphafold
• alphafold-tools
• alphafold3
• boltz-1
• chai-1
• colabfold
• dockq
• fair-esm
• modeller
• omegafold
• rosettafold-aa
• rosettafold2
• rosettafold2na
• scwrl4
• tm-score

Vizualization & 3D Modelling

• aimall
• avogadro1
• avogadro2
• bambu-studio
• blender
• chemcraft
• chemsk
• chimera
• chimerax
• dyndom
• geomview
• gnuplot
• grace
• molekel
• nboview
• nemesis
• openscad
• povray
• prusa-slicer
• pymol
• vmd
• vmd2

System & Uncategorized Modules

• abs
• abs-rsync
• adflic
• admin-tools
• alphafold-conda
• amber-pmf
• boost
• brother-ql
• build-toolchains
• cm5pac
• compat
• crosstool-ng
• cudacdk
• cudacore
• cudacore-5.0
• cudacore-8.0
• cudart
• deprecated-openmpi
• dftd3
• ffdevel
• gawk
• gcc
• glibc
• go
• hpckitcore
• hwloc
• infinity-env
• intelcore
• intelmkl
• jdk
• jmol
• jre
• jwm
• libpbs
• mathematica
• matlablic
• mc
• meta-storages
• metabase
• module-ams
• module-sys
• molpro
• mpich
• noaffinity
• opengl-mesa
• opengl-mux
• opengl-utils
• openmpi
• openpbs
• patchelf
• pbspro
• perf
• postg
• rosettafold2-conda
• screen
• ssh-ams
• sysmodule
• tcltk
• tigervnc
• ucx

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