79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
openmm 7.4.2-2 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara
packmol 20.010-1 1 0.03 Creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. berquist
plumed 2.7.0-1 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
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
psi3-bin 3.4.0.6-2 0 0.00 An open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models. (Debian binary build) berquist
pteros 2.8.r144.g2965c2b0-1 0 0.00 C++ library for molecular modeling. burning_daylight
pymol-git r4806.c7095ec2-1 1 0.00 Molecular visualization system on an Open Source foundation brisvag
python-chemview-git 0.3.r87.c7e9150-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) berquist
python-mdanalysis 1.0.0-2 1 0.00 An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. hseara
python-mdtraj 1.9.5-1 3 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara
python-mmtf 1.1.2-1 0 0.00 The macromolecular transmission format (MMTF) is a binary encoding of biological structures. hseara
python-pdb2pqr 3.1.0-1 0 0.00 Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation. dviktor
python2-chemview-git 0.3.r87.c7e9150-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) berquist
python2-insane 1.1-1 1 0.00 Tool for constructing MARTINI coarse grained lipid bilayers in python Ezmagon
python2-openbabel 3.0.0-1 0 0.00 A library designed to interconvert between many file formats used in molecular modeling and computational chemistry: Python2 bindings awacha
python2-sloppycell 1:r860.14366d3-1 0 0.00 Software environment for simulation and analysis of biomolecular networks mschu
qtltools-git 1.1.72.dd02b8e-1 0 0.00 A complete tool set for molecular QTL discovery and analysis alienzj
rasmol-gtk 2.7.5.2-2 2 0.00 A program for molecular graphics visualisation (aka openrasmol) leepesjee
scipion-git v1.0.1.r12.1dfd3db7fa-1 0 0.00 An integrative software platform used to obtain 3D models of macromolecular complexes using Electron Microscopy (3DEM) joshinsilico
seaview 4.7-2 10 0.00 GUI for multiple sequence alignment and molecular phylogeny boenki
smoldyn 2.58-1 0 0.00 A particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions dilawars
snapgene 5.0.7-1 3 0.01 Software for plasmid mapping, primer design, and restriction site analysis Ezmagon
tachyon-opengl 0.99b6-3 0 0.00 Parallel ray tracer (used as part of Visual Molecular Dynamics), OpenGL-enabled berquist
ucsf-chimera 1.14-1 15 0.00 Extensible molecular modeling system Athemis
vmd 1.9.4a38-3 19 0.00 Visual Molecular Dynamics berquist
vmd-molfile-plugins 1.9.4a51-1 0 0.00 Visual Molecular Dynamics - molfile plugins dviktor
vmd-src 1.9.4a51-4 3 0.01 Visual Molecular Dynamics a.kudelin
xcrysden 1.6.2-2 6 0.21 crystalline and molecular structure visualisation program specter119
yaehmop 3.1.0b2-4 0 0.00 Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) lantw44

79 packages found. Page 2 of 2.

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