79 packages found. Page 1 of 2.

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Name Version Votes Popularity? Description Maintainer
gromacs 2020.5-1 20 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
vmd 1.9.4a38-3 19 0.00 Visual Molecular Dynamics berquist
emboss 6.6.0-3 18 0.00 A collection of molecular biology applications mschu
ucsf-chimera 1.14-1 15 0.00 Extensible molecular modeling system Athemis
avogadro 1.2.0-6 14 0.01 An advanced molecular editor based on Qt berquist
cytoscape 3.7.1-1 11 0.00 A software for visualizing molecular interaction networks and integration with gene expression profiles and other state data. lukaszimmermann
seaview 4.7-2 10 0.00 GUI for multiple sequence alignment and molecular phylogeny boenki
lammps 20201029-1 8 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
molden 6.5-1 6 0.01 A program for molecular and electronic structure visualization dan.maftei
libmsym-git 0.2.3.r190.c994703-1 6 0.00 A library for handling molecular point group symmetry, with a Python interface (git version) berquist
autodock-vina 1.1.2-2 6 0.00 A tool for drug discovery, molecular docking and virtual screening mschu
xcrysden 1.6.2-2 5 0.00 crystalline and molecular structure visualisation program specter119
plumed 2.6.2-1 4 0.00 An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. hseara
vmd-src 1.9.4a51-3 3 0.03 Visual Molecular Dynamics a.kudelin
snapgene 5.0.7-1 3 0.03 Software for plasmid mapping, primer design, and restriction site analysis Ezmagon
python-mdtraj 1.9.5-1 3 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara
openbabel-git 3.0.90.r5774.686ee22f2-1 3 0.00 A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (git version, builds Python bindings) berquist
mgltools 1.5.6-1 3 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer mschu
garlic 1.6-6 3 0.00 Molecular visualization program boenki
gamess 2020R2-2 3 0.01 The General Atomic and Molecular Electronic Structure System budgerigar
ball 1.4.2-4 3 0.00 Application framework in C++ for Computational Molecular Biology and Molecular Modeling. klepz
avogadro-git 1425272470-1 3 0.00 An advanced molecular editor based on Qt Xyne
rasmol-gtk 2.7.5.2-2 2 0.00 A program for molecular graphics visualisation (aka openrasmol) leepesjee
kim-api 2.2.1-1 2 0.58 Online framework for reliable, reproducible and portable molecular simulations dschopf
hoomd-blue v2.2.2.r1.g6e386396a-1 2 0.00 A general-purpose particle simulation toolkit using GPUs with CUDA AsmundEr
gromacs-plumed 2019.4-2 2 0.00 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched) hseara
cp2k-bin 7.1-1 2 0.16 A quantum chemistry and solid state physics software package for atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. (precompiled, OpenMP) berquist
blender-plugin-molecular 1.1.1_r249.e4ef6a2-2 2 0.00 Blender addon for advance particle physics, multithreaded. bartus
apbs 3.0.0-2 2 0.00 Software for biomolecular electrostatics and solvation calculations dviktor
ambertools 20-7 2 0.00 Biomolecular simulation package (tools only) dviktor
python2-insane 1.1-1 1 0.00 Tool for constructing MARTINI coarse grained lipid bilayers in python Ezmagon
python-mdanalysis 1.0.0-1 1 0.00 An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. hseara
pymol-git r4806.c7095ec2-1 1 0.00 Molecular visualization system on an Open Source foundation brisvag
plumed-mpi 2.6.2-1 1 0.00 An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines (with MPI support) dviktor
packmol 20.010-1 1 0.15 Creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. berquist
namd-multicore-cuda-bin 2.13-1 1 0.05 Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. willemsk
namd 2.14-3 1 0.00 Scalable molecular dynamic engine dviktor
molsketch 0.6.0-3 1 0.00 A 2D molecular editing tool a.kudelin
mgltools-bin 2015.01.22-2 1 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision, AutoDock 4.2.6 and PythonMoleculeViewer (includes Python 2.7) nicman23
megax-bin 10.1.8-1 1 0.00 Molecular Evolutionary Genetics Analysis Maverick
martinize-git v0.3.1.r8.2a50f80-1 1 0.00 Describe and apply transformation on molecular structures and topologies Ezmagon
lsdalton 2020.0-1 1 0.37 A linear-scaling HF and DFT code suitable for large molecular systems a.kudelin
lammps-beta 20201029-1 1 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
gromacs-4.6-complete 4.6.7-7 1 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
dseams-git 1.0.0.r14.g333cc82-1 1 0.01 Deferred Structural Elucidation Analysis for Molecular Simulations ragouel
dalton 2018.2-2 1 0.00 A tool for a wide range of molecular properties at different levels of theory a.kudelin
cistem-bin 1.0.0-1 1 0.00 User-friendly software to process cryo-EM images of macromolecular complexes orphan
avogadroapp 1.93.0-3 1 0.00 An advanced molecular editor a.kudelin
yaehmop 3.1.0b2-4 0 0.00 Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) lantw44
vmd-molfile-plugins 1.9.4a48-1 0 0.00 Visual Molecular Dynamics - molfile plugins dviktor

79 packages found. Page 1 of 2.

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