79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
vmd 1.9.4a38-3 19 0.00 Visual Molecular Dynamics berquist
tachyon-opengl 0.99b6-3 0 0.00 Parallel ray tracer (used as part of Visual Molecular Dynamics), OpenGL-enabled berquist
python2-chemview-git 0.3.r87.c7e9150-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) berquist
python-chemview-git 0.3.r87.c7e9150-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) berquist
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
packmol 20.010-1 1 0.07 Creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. berquist
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
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
iqmol 2.14-1 0 0.00 A molecular editor and visualization package with Q-Chem integration berquist
cp2k-bin 7.1-1 2 0.07 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
chemkit-git 1101-1 0 0.00 An open source software library for cheminformatics, molecular modeling and molecular visualization berquist
chemkit-builder-git 6-1 0 0.00 Lightweight molecular editor built using chemkit berquist
avogadro 1.2.0-6 14 0.00 An advanced molecular editor based on Qt berquist
blender-plugin-molecular 1.1.1_r249.e4ef6a2-2 2 0.00 Blender addon for advance particle physics, multithreaded. bartus
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
ucsf-chimera 1.14-1 15 0.00 Extensible molecular modeling system Athemis
mmdb2 2.0.20-1 0 0.00 A C++ toolkit for working with macromolecular coordinate files Athemis
hoomd-blue v2.2.2.r1.g6e386396a-1 2 0.00 A general-purpose particle simulation toolkit using GPUs with CUDA AsmundEr
qtltools-git 1.1.72.dd02b8e-1 0 0.00 A complete tool set for molecular QTL discovery and analysis alienzj
vmd-src 1.9.4a51-3 3 0.02 Visual Molecular Dynamics a.kudelin
molsketch 0.6.0-3 1 0.00 A 2D molecular editing tool a.kudelin
lsdalton 2020.0-1 1 0.16 A linear-scaling HF and DFT code suitable for large molecular systems a.kudelin
dalton 2018.2-2 1 0.00 A tool for a wide range of molecular properties at different levels of theory a.kudelin
avogadroapp 1.93.0-3 1 0.00 An advanced molecular editor a.kudelin
openbabel2 2.4.1-1 0 0.00 A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (libs only) orphan
lammps-git r13672.f7cbdcf99-4 0 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator orphan
dseams-git 1.0.0.r14.g333cc82-1 1 0.01 Deferred Structural Elucidation Analysis for Molecular Simulations orphan
dseams 1.0.1-1 0 0.00 Deferred Structural Elucidation Analysis for Molecular Simulations orphan
cistem-bin 1.0.0-1 1 0.00 User-friendly software to process cryo-EM images of macromolecular complexes orphan

79 packages found. Page 2 of 2.

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