| smoldyn |
2.58-1 |
0 |
0.00 |
A particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions |
dilawars
|
| 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
|
| qtltools-git |
1.1.72.dd02b8e-1 |
0 |
0.00 |
A complete tool set for molecular QTL discovery and analysis |
alienzj
|
| python2-sloppycell |
1:r860.14366d3-1 |
0 |
0.00 |
Software environment for simulation and analysis of biomolecular networks |
mschu
|
| 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-chemview-git |
0.3.r87.c7e9150-1 |
0 |
0.00 |
An interactive molecular viewer for the IPython notebook (git version) |
berquist
|
| 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
|
| python-mmtf |
1.1.2-1 |
0 |
0.00 |
The macromolecular transmission format (MMTF) is a binary encoding of biological structures. |
hseara
|
| python-chemview-git |
0.3.r87.c7e9150-1 |
0 |
0.00 |
An interactive molecular viewer for the IPython notebook (git version) |
berquist
|
| pteros |
2.8.r125.g16923940-1 |
0 |
0.00 |
C++ library for molecular modeling. |
burning_daylight
|
| 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
|
| openmm |
7.4.2-2 |
0 |
0.00 |
Toolkit for molecular simulation using high performance GPU code |
hseara
|
| 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
|
| molprobity-git |
r1013.ee5bdd4-2 |
0 |
0.00 |
All-atom structure validation for macromolecular crystallography |
joshinsilico
|
| molecular-workbench |
3.0.0-4 |
0 |
0.00 |
Modeling tool for designing and conducting computational experiments across science. |
PrinceMachiavell
|
| mmdb2 |
2.0.20-1 |
0 |
0.00 |
A C++ toolkit for working with macromolecular coordinate files |
Athemis
|
| mingw-w64-pteros |
2.8.r125.g16923940-1 |
0 |
0.00 |
C++ library for molecular modeling. (mingw-w64) |
burning_daylight
|
| luscus |
0.8.1-1 |
0 |
0.00 |
molecular editor and viewer |
steabert
|
| lammps-git |
r13672.f7cbdcf99-4 |
0 |
0.00 |
Large-scale Atomic/Molecular Massively Parallel Simulator |
orphan
|
| iqmol |
2.14-1 |
0 |
0.00 |
A molecular editor and visualization package with Q-Chem integration |
berquist
|
| iboview |
20150427-1 |
0 |
0.00 |
A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). |
HaoZeke
|
| hole2-git |
v2.004pre.r24.ba82cfc-2 |
0 |
0.00 |
Analyzes the pore dimensions of ion channels |
Ezmagon
|
| 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-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
|
| fpocket-git |
r93.c530900-1 |
0 |
0.00 |
Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation |
dviktor
|
| 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 |
1.0.1-1 |
0 |
0.00 |
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
| chemkit-git |
1101-1 |
0 |
0.00 |
An open source software library for cheminformatics, molecular modeling and molecular visualization |
berquist
|
| chemkit-builder-git |
6-1 |
0 |
0.00 |
Lightweight molecular editor built using chemkit |
berquist
|