79 packages found. Page 1 of 2.

1 2 Next › Last »

Name Version Votes Popularity? Description Maintainer
avogadro-git 1425272470-1 3 0.00 An advanced molecular editor based on Qt Xyne
namd-multicore-cuda-bin 2.13-1 1 0.05 Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. willemsk
luscus 0.8.1-1 0 0.00 molecular editor and viewer steabert
xcrysden 1.6.2-2 5 0.00 crystalline and molecular structure visualisation program specter119
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-git 1.0.0.r14.g333cc82-1 1 0.01 Deferred Structural Elucidation Analysis for Molecular Simulations ragouel
dseams 1.0.1-1 0 0.00 Deferred Structural Elucidation Analysis for Molecular Simulations ragouel
molecular-workbench 3.0.0-4 0 0.00 Modeling tool for designing and conducting computational experiments across science. PrinceMachiavell
lammps-beta 20201029-1 1 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
lammps 20201029-1 8 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator physkets
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
python2-sloppycell 1:r860.14366d3-1 0 0.00 Software environment for simulation and analysis of biomolecular networks mschu
mgltools 1.5.6-1 3 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer mschu
emboss 6.6.0-3 18 0.00 A collection of molecular biology applications mschu
autodock-vina 1.1.2-2 6 0.00 A tool for drug discovery, molecular docking and virtual screening mschu
megax-bin 10.1.8-1 1 0.00 Molecular Evolutionary Genetics Analysis Maverick
cytoscape 3.7.1-1 11 0.00 A software for visualizing molecular interaction networks and integration with gene expression profiles and other state data. lukaszimmermann
rasmol-gtk 2.7.5.2-2 2 0.00 A program for molecular graphics visualisation (aka openrasmol) leepesjee
yaehmop 3.1.0b2-4 0 0.00 Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) lantw44
ball 1.4.2-4 3 0.00 Application framework in C++ for Computational Molecular Biology and Molecular Modeling. klepz
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
molprobity-git r1013.ee5bdd4-2 0 0.00 All-atom structure validation for macromolecular crystallography joshinsilico
python-mmtf 1.1.2-1 0 0.00 The macromolecular transmission format (MMTF) is a binary encoding of biological structures. hseara
python-mdtraj 1.9.5-1 3 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara
python-mdanalysis 1.0.0-1 1 0.00 An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. hseara
plumed 2.6.2-1 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
openmm 7.4.2-2 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara
gromacs-plumed 2019.4-2 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-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 2020.5-1 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
iboview 20150427-1 0 0.00 A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). HaoZeke
snapgene 5.0.7-1 3 0.03 Software for plasmid mapping, primer design, and restriction site analysis Ezmagon
python2-insane 1.1-1 1 0.00 Tool for constructing MARTINI coarse grained lipid bilayers in python Ezmagon
martinize-git v0.3.1.r8.2a50f80-1 1 0.00 Describe and apply transformation on molecular structures and topologies Ezmagon
hole2-git v2.004pre.r24.ba82cfc-2 0 0.00 Analyzes the pore dimensions of ion channels Ezmagon
vmd-molfile-plugins 1.9.4a48-1 0 0.00 Visual Molecular Dynamics - molfile plugins dviktor
python-pdb2pqr 3.0.1-3 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
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
namd 2.14-3 1 0.00 Scalable molecular dynamic engine dviktor
fpocket-git r93.c530900-1 0 0.00 Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation dviktor
apbs 3.0.0-2 2 0.00 Software for biomolecular electrostatics and solvation calculations dviktor
ambertools 20-7 2 0.00 Biomolecular simulation package (tools only) dviktor
kim-api 2.2.1-1 2 0.58 Online framework for reliable, reproducible and portable molecular simulations dschopf
smoldyn 2.58-1 0 0.00 A particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions dilawars
molden 6.5-1 6 0.01 A program for molecular and electronic structure visualization dan.maftei
pteros 2.8.r125.g16923940-1 0 0.00 C++ library for molecular modeling. burning_daylight
mingw-w64-pteros 2.8.r125.g16923940-1 0 0.00 C++ library for molecular modeling. (mingw-w64) burning_daylight
gamess 2020R2-2 3 0.01 The General Atomic and Molecular Electronic Structure System budgerigar
pymol-git r4806.c7095ec2-1 1 0.00 Molecular visualization system on an Open Source foundation brisvag

79 packages found. Page 1 of 2.

1 2 Next › Last »