| FoldingAtHome/coronavirus |
1,108 |
|
0 |
0 |
over 5 years ago |
0 |
|
12 |
|
Python |
| Folding@home COVID-19 efforts |
| jparkhill/TensorMol |
190 |
|
0 |
0 |
about 8 years ago |
1 |
November 08, 2017 |
16 |
gpl-3.0 |
Python |
| Tensorflow + Molecules = TensorMol |
| jewettaij/moltemplate |
186 |
|
0 |
0 |
almost 3 years ago |
119 |
January 15, 2023 |
7 |
mit |
Python |
| A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies |
| m3g/packmol |
174 |
|
1 |
1 |
over 2 years ago |
3 |
November 27, 2025 |
1 |
mit |
Fortran |
| Packmol - Initial configurations for molecular dynamics simulations |
| mosdef-hub/mbuild |
156 |
|
0 |
2 |
about 2 years ago |
17 |
August 24, 2022 |
73 |
other |
Python |
| A hierarchical, component based molecule builder |
| khavernathy/mcmd |
74 |
|
0 |
0 |
over 2 years ago |
0 |
|
39 |
gpl-3.0 |
C++ |
| Monte Carlo and Molecular Dynamics Simulation Package |
| sharc-md/sharc |
50 |
|
0 |
0 |
over 2 years ago |
0 |
|
22 |
gpl-3.0 |
Python |
| The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules. |
| essex-lab/grand |
34 |
|
0 |
0 |
almost 3 years ago |
0 |
|
0 |
mit |
Python |
| A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM. |
| aiqm/aimnet |
31 |
|
0 |
0 |
over 6 years ago |
0 |
|
3 |
mit |
Python |
| Atoms In Molecules Neural Network Potential |
| wwang2/Coarse-Graining-Auto-encoders |
21 |
|
0 |
0 |
about 4 years ago |
0 |
|
0 |
|
Jupyter Notebook |
