| autodock-vina |
1.1.2-2 |
6 |
0.00 |
A tool for drug discovery, molecular docking and virtual screening |
mschu
|
| 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
|
| blender-plugin-molecular |
1.1.1_r249.e4ef6a2-2 |
2 |
0.00 |
Blender addon for advance particle physics, multithreaded. |
bartus
|
| chemkit-builder-git |
6-1 |
0 |
0.00 |
Lightweight molecular editor built using chemkit |
berquist
|
| chemkit-git |
1101-1 |
0 |
0.00 |
An open source software library for cheminformatics, molecular modeling and molecular visualization |
berquist
|
| cistem-bin |
1.0.0-1 |
1 |
0.00 |
User-friendly software to process cryo-EM images of macromolecular complexes |
orphan
|
| dseams |
1.0.1-1 |
0 |
0.00 |
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
| espressomd-git |
3.4.dev.r13633.ff32b09e5-1 |
0 |
0.00 |
ESPResSo is a software package for performing and analyzing Molecular Dynamics simulations. |
Raketenjoint
|
| fpocket-git |
r93.c530900-1 |
0 |
0.00 |
Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation |
dviktor
|
| garlic |
1.6-6 |
3 |
0.00 |
Molecular visualization program |
boenki
|
| 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
|
| hole2-git |
v2.004pre.r24.ba82cfc-2 |
0 |
0.00 |
Analyzes the pore dimensions of ion channels |
Ezmagon
|
| hoomd-blue |
v2.2.2.r1.g6e386396a-1 |
2 |
0.00 |
A general-purpose particle simulation toolkit using GPUs with CUDA |
AsmundEr
|
| iboview |
20150427-1 |
0 |
0.00 |
A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). |
HaoZeke
|
| iqmol |
2.14-1 |
0 |
0.00 |
A molecular editor and visualization package with Q-Chem integration |
berquist
|
| lammps-git |
r13672.f7cbdcf99-4 |
0 |
0.00 |
Large-scale Atomic/Molecular Massively Parallel Simulator |
orphan
|
| luscus |
0.8.1-1 |
0 |
0.00 |
molecular editor and viewer |
steabert
|
| mgltools |
1.5.6-1 |
3 |
0.00 |
Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer |
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
|
| mingw-w64-pteros |
2.8.r125.g16923940-1 |
0 |
0.00 |
C++ library for molecular modeling. (mingw-w64) |
burning_daylight
|
| mmdb2 |
2.0.20-1 |
0 |
0.00 |
A C++ toolkit for working with macromolecular coordinate files |
Athemis
|
| molecular-workbench |
3.0.0-4 |
0 |
0.00 |
Modeling tool for designing and conducting computational experiments across science. |
PrinceMachiavell
|
| molprobity-git |
r1013.ee5bdd4-2 |
0 |
0.00 |
All-atom structure validation for macromolecular crystallography |
joshinsilico
|
| 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
|
| 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
|
| 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
|
| 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
|
| pteros |
2.8.r125.g16923940-1 |
0 |
0.00 |
C++ library for molecular modeling. |
burning_daylight
|
| python-chemview-git |
0.3.r87.c7e9150-1 |
0 |
0.00 |
An interactive molecular viewer for the IPython notebook (git version) |
berquist
|
| python-mmtf |
1.1.2-1 |
0 |
0.00 |
The macromolecular transmission format (MMTF) is a binary encoding of biological structures. |
hseara
|
| 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
|
| python2-chemview-git |
0.3.r87.c7e9150-1 |
0 |
0.00 |
An interactive molecular viewer for the IPython notebook (git version) |
berquist
|
| python2-insane |
1.1-1 |
1 |
0.00 |
Tool for constructing MARTINI coarse grained lipid bilayers in python |
Ezmagon
|
| 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-sloppycell |
1:r860.14366d3-1 |
0 |
0.00 |
Software environment for simulation and analysis of biomolecular networks |
mschu
|
| qtltools-git |
1.1.72.dd02b8e-1 |
0 |
0.00 |
A complete tool set for molecular QTL discovery and analysis |
alienzj
|
| rasmol-gtk |
2.7.5.2-2 |
2 |
0.00 |
A program for molecular graphics visualisation (aka openrasmol) |
leepesjee
|
| 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
|
| seaview |
4.7-2 |
10 |
0.00 |
GUI for multiple sequence alignment and molecular phylogeny |
boenki
|
| smoldyn |
2.58-1 |
0 |
0.00 |
A particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions |
dilawars
|
| tachyon-opengl |
0.99b6-3 |
0 |
0.00 |
Parallel ray tracer (used as part of Visual Molecular Dynamics), OpenGL-enabled |
berquist
|
| vmd-molfile-plugins |
1.9.4a51-1 |
0 |
0.00 |
Visual Molecular Dynamics - molfile plugins |
dviktor
|
| yaehmop |
3.1.0b2-4 |
0 |
0.00 |
Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) |
lantw44
|
| martinize-git |
v0.3.1.r8.2a50f80-1 |
1 |
0.00 |
Describe and apply transformation on molecular structures and topologies |
Ezmagon
|
| pymol-git |
r4806.c7095ec2-1 |
1 |
0.00 |
Molecular visualization system on an Open Source foundation |
brisvag
|