79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
apbs 3.0.0-2 2 0.00 Software for biomolecular electrostatics and solvation calculations dviktor
blender-plugin-molecular 1.1.1_r249.e4ef6a2-2 2 0.00 Blender addon for advance particle physics, multithreaded. bartus
cp2k-bin 7.1-1 2 0.03 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
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
hoomd-blue v2.2.2.r1.g6e386396a-1 2 0.00 A general-purpose particle simulation toolkit using GPUs with CUDA AsmundEr
kim-api 2.2.1-1 2 0.10 Online framework for reliable, reproducible and portable molecular simulations dschopf
namd 2.14-3 2 0.24 Scalable molecular dynamic engine dviktor
rasmol-gtk 2.7.5.2-2 2 0.00 A program for molecular graphics visualisation (aka openrasmol) leepesjee
avogadro-git 1425272470-1 3 0.00 An advanced molecular editor based on Qt Xyne
ball 1.4.2-4 3 0.00 Application framework in C++ for Computational Molecular Biology and Molecular Modeling. klepz
gamess 2020R2-2 3 0.00 The General Atomic and Molecular Electronic Structure System budgerigar
garlic 1.6-6 3 0.00 Molecular visualization program boenki
mgltools 1.5.6-1 3 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer mschu
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
python-mdtraj 1.9.5-1 3 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara
snapgene 5.0.7-1 3 0.00 Software for plasmid mapping, primer design, and restriction site analysis Ezmagon
vmd-src 1.9.4a51-4 3 0.01 Visual Molecular Dynamics a.kudelin
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
autodock-vina 1.1.2-2 6 0.00 A tool for drug discovery, molecular docking and virtual screening mschu
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
molden 6.7-1 6 0.00 A program for molecular and electronic structure visualization dan.maftei
xcrysden 1.6.2-2 6 0.18 crystalline and molecular structure visualisation program specter119
lammps 20201029-1 8 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
seaview 4.7-2 10 0.00 GUI for multiple sequence alignment and molecular phylogeny boenki
avogadro 1.2.0-6 14 0.00 An advanced molecular editor based on Qt berquist
ucsf-chimera 1.14-1 15 0.00 Extensible molecular modeling system Athemis
emboss 6.6.0-3 18 0.00 A collection of molecular biology applications mschu
vmd 1.9.4a38-3 19 0.00 Visual Molecular Dynamics berquist
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

79 packages found. Page 2 of 2.

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