Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Coronavirus | 1,108 | 3 years ago | 12 | Python | ||||||
Folding@home COVID-19 efforts | ||||||||||
Tensormol | 190 | 6 years ago | 1 | November 08, 2017 | 16 | gpl-3.0 | Python | |||
Tensorflow + Molecules = TensorMol | ||||||||||
Moltemplate | 186 | a year ago | 119 | January 15, 2023 | 7 | mit | Python | |||
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies | ||||||||||
Packmol | 174 | 4 months ago | 1 | mit | Fortran | |||||
Packmol - Initial configurations for molecular dynamics simulations | ||||||||||
Mbuild | 156 | 2 | 2 months ago | 17 | August 24, 2022 | 73 | other | Python | ||
A hierarchical, component based molecule builder | ||||||||||
Mcmd | 74 | 3 months ago | 39 | gpl-3.0 | C++ | |||||
Monte Carlo and Molecular Dynamics Simulation Package | ||||||||||
Sharc | 50 | 3 months ago | 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. | ||||||||||
Grand | 34 | a year ago | mit | Python | ||||||
A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM. | ||||||||||
Aimnet | 31 | 4 years ago | 3 | mit | Python | |||||
Atoms In Molecules Neural Network Potential | ||||||||||
Coarse Graining Auto Encoders | 21 | 2 years ago | Jupyter Notebook | |||||||