79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
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
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
molprobity-git r1013.ee5bdd4-2 0 0.00 All-atom structure validation for macromolecular crystallography joshinsilico
molecular-workbench 3.0.0-4 0 0.00 Modeling tool for designing and conducting computational experiments across science. PrinceMachiavell
mmdb2 2.0.20-1 0 0.00 A C++ toolkit for working with macromolecular coordinate files Athemis
mingw-w64-pteros 2.8.r125.g16923940-1 0 0.00 C++ library for molecular modeling. (mingw-w64) burning_daylight
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
mgltools 1.5.6-1 3 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer mschu
luscus 0.8.1-1 0 0.00 molecular editor and viewer steabert
lammps-git r13672.f7cbdcf99-4 0 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator orphan
iqmol 2.14-1 0 0.00 A molecular editor and visualization package with Q-Chem integration berquist
iboview 20150427-1 0 0.00 A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). HaoZeke
hoomd-blue v2.2.2.r1.g6e386396a-1 2 0.00 A general-purpose particle simulation toolkit using GPUs with CUDA AsmundEr
hole2-git v2.004pre.r24.ba82cfc-2 0 0.00 Analyzes the pore dimensions of ion channels Ezmagon
gromacs-plumed 2020.4-1 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
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
gromacs-2020-complete 2020.5-1 0 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
gromacs-2019-complete 2019.6-1 0 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
garlic 1.6-6 3 0.00 Molecular visualization program boenki
fpocket-git r93.c530900-1 0 0.00 Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation dviktor
espressomd-git 3.4.dev.r13633.ff32b09e5-1 0 0.00 ESPResSo is a software package for performing and analyzing Molecular Dynamics simulations. Raketenjoint
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
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
blender-plugin-molecular 1.1.1_r249.e4ef6a2-2 2 0.00 Blender addon for advance particle physics, multithreaded. bartus
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
autodock-vina 1.1.2-2 6 0.00 A tool for drug discovery, molecular docking and virtual screening mschu

79 packages found. Page 2 of 2.

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