79 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer
emboss 6.6.0-3 18 0.00 A collection of molecular biology applications mschu
dalton 2018.2-2 1 0.00 A tool for a wide range of molecular properties at different levels of theory a.kudelin
molsketch 0.6.0-3 1 0.00 A 2D molecular editing tool a.kudelin
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
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
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
ucsf-chimera 1.14-1 15 0.00 Extensible molecular modeling system Athemis
lammps 20201029-1 8 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
plumed-mpi 2.6.2-1 1 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 (with MPI support) dviktor
python-mdtraj 1.9.5-1 3 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara
lammps-beta 20210210-1 1 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
avogadroapp 1.93.0-3 1 0.00 An advanced molecular editor a.kudelin
apbs 3.0.0-2 2 0.00 Software for biomolecular electrostatics and solvation calculations dviktor
vmd 1.9.4a38-3 19 0.00 Visual Molecular Dynamics berquist
ambertools 20-7 2 0.00 Biomolecular simulation package (tools only) dviktor
megax-bin 10.2.4-1 1 0.00 Molecular Evolutionary Genetics Analysis Maverick
gamess 2020R2-2 3 0.00 The General Atomic and Molecular Electronic Structure System budgerigar
avogadro 1.2.0-6 14 0.00 An advanced molecular editor based on Qt berquist
molden 6.7-1 6 0.00 A program for molecular and electronic structure visualization dan.maftei
dseams-git 1.0.0.r14.g333cc82-1 1 0.00 Deferred Structural Elucidation Analysis for Molecular Simulations orphan
snapgene 5.0.7-1 3 0.01 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
namd-multicore-cuda-bin 2.14-1 1 0.01 Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. willemsk
packmol 20.010-1 1 0.03 Creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. berquist
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
lsdalton 2020.0-1 1 0.07 A linear-scaling HF and DFT code suitable for large molecular systems a.kudelin
kim-api 2.2.1-1 2 0.12 Online framework for reliable, reproducible and portable molecular simulations dschopf
xcrysden 1.6.2-2 6 0.21 crystalline and molecular structure visualisation program specter119
namd 2.14-3 2 0.28 Scalable molecular dynamic engine dviktor

79 packages found. Page 2 of 2.

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