79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
smoldyn 2.58-1 0 0.00 A particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions dilawars
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
qtltools-git 1.1.72.dd02b8e-1 0 0.00 A complete tool set for molecular QTL discovery and analysis alienzj
python2-sloppycell 1:r860.14366d3-1 0 0.00 Software environment for simulation and analysis of biomolecular networks mschu
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-chemview-git 0.3.r87.c7e9150-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) berquist
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
python-mmtf 1.1.2-1 0 0.00 The macromolecular transmission format (MMTF) is a binary encoding of biological structures. hseara
python-chemview-git 0.3.r87.c7e9150-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) berquist
pteros 2.8.r125.g16923940-1 0 0.00 C++ library for molecular modeling. burning_daylight
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
openmm 7.4.2-2 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara
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
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
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
hole2-git v2.004pre.r24.ba82cfc-2 0 0.00 Analyzes the pore dimensions of ion channels Ezmagon
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
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
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

79 packages found. Page 2 of 2.

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