79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
gromacs 2021.1-1 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
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
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-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-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
openmm 7.4.2-2 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara
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
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
molprobity-git r1013.ee5bdd4-2 0 0.00 All-atom structure validation for macromolecular crystallography joshinsilico
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
ball 1.4.2-4 3 0.00 Application framework in C++ for Computational Molecular Biology and Molecular Modeling. klepz
yaehmop 3.1.0b2-4 0 0.00 Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) lantw44
rasmol-gtk 2.7.5.2-2 2 0.00 A program for molecular graphics visualisation (aka openrasmol) leepesjee
megax-bin 10.2.5-1 1 0.00 Molecular Evolutionary Genetics Analysis Maverick
autodock-vina 1.1.2-2 6 0.00 A tool for drug discovery, molecular docking and virtual screening mschu
emboss 6.6.0-3 18 0.00 A collection of molecular biology applications mschu
mgltools 1.5.6-1 3 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer mschu
python2-sloppycell 1:r860.14366d3-1 0 0.00 Software environment for simulation and analysis of biomolecular networks mschu
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
lammps 20201029-1 8 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
lammps-beta 20210210-1 1 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
molecular-workbench 3.0.0-4 0 0.00 Modeling tool for designing and conducting computational experiments across science. PrinceMachiavell
espressomd-git 3.4.dev.r13633.ff32b09e5-1 0 0.00 ESPResSo is a software package for performing and analyzing Molecular Dynamics simulations. Raketenjoint
xcrysden 1.6.2-2 6 0.18 crystalline and molecular structure visualisation program specter119
luscus 0.8.1-1 0 0.00 molecular editor and viewer steabert
namd-multicore-cuda-bin 2.14-1 1 0.01 Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. willemsk
avogadro-git 1425272470-1 3 0.00 An advanced molecular editor based on Qt Xyne

79 packages found. Page 2 of 2.

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