| 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
|
| hoomd-blue |
v2.2.2.r1.g6e386396a-1 |
2 |
0.00 |
A general-purpose particle simulation toolkit using GPUs with CUDA |
AsmundEr
|
| hole2-git |
v2.004pre.r24.ba82cfc-2 |
0 |
0.00 |
Analyzes the pore dimensions of ion channels |
Ezmagon
|
| 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
|
| 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-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
|
| gromacs |
2021-1 |
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
|
| garlic |
1.6-6 |
3 |
0.00 |
Molecular visualization program |
boenki
|
| gamess |
2020R2-2 |
3 |
0.00 |
The General Atomic and Molecular Electronic Structure System |
budgerigar
|
| 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
|
| emboss |
6.6.0-3 |
18 |
0.00 |
A collection of molecular biology applications |
mschu
|
| dseams-git |
1.0.0.r14.g333cc82-1 |
1 |
0.01 |
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
| dseams |
1.0.1-1 |
0 |
0.00 |
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
| dalton |
2018.2-2 |
1 |
0.00 |
A tool for a wide range of molecular properties at different levels of theory |
a.kudelin
|
| cp2k-bin |
7.1-1 |
2 |
0.07 |
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
|
| cistem-bin |
1.0.0-1 |
1 |
0.00 |
User-friendly software to process cryo-EM images of macromolecular complexes |
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
|
| blender-plugin-molecular |
1.1.1_r249.e4ef6a2-2 |
2 |
0.00 |
Blender addon for advance particle physics, multithreaded. |
bartus
|
| ball |
1.4.2-4 |
3 |
0.00 |
Application framework in C++ for Computational Molecular Biology and Molecular Modeling. |
klepz
|
| avogadroapp |
1.93.0-3 |
1 |
0.00 |
An advanced molecular editor |
a.kudelin
|
| avogadro-git |
1425272470-1 |
3 |
0.00 |
An advanced molecular editor based on Qt |
Xyne
|
| avogadro |
1.2.0-6 |
14 |
0.00 |
An advanced molecular editor based on Qt |
berquist
|
| autodock-vina |
1.1.2-2 |
6 |
0.00 |
A tool for drug discovery, molecular docking and virtual screening |
mschu
|
| 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
|