Torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Nequip | 478 | 4 months ago | 2 | June 21, 2022 | 17 | mit | Python | |||
| NequIP is a code for building E(3)-equivariant interatomic potentials | ||||||||||
| Torchmd | 465 | | 1 | 3 months ago | 5 | July 17, 2023 | 10 | mit | Python | |
| End-To-End Molecular Dynamics (MD) Engine using PyTorch | ||||||||||
| Allegro | 169 | a year ago | mit | Python | ||||||
| Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials | ||||||||||
| Vde | 161 | 2 years ago | 5 | mit | Jupyter Notebook | |||||
| Variational Autoencoder for Dimensionality Reduction of Time-Series | ||||||||||
| Aimnet | 31 | 4 years ago | 3 | mit | Python | |||||
| Atoms In Molecules Neural Network Potential | ||||||||||
| Pnerf | 21 | 5 years ago | mit | Python | ||||||
| Vde_metadynamics | 20 | 6 years ago | 2 | mit | Python | |||||
| Enhanced protein mutational sampling using time-lagged variational autoencoders | ||||||||||
| Pair_allegro | 19 | 10 months ago | 2 | mit | C++ | |||||
| LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support | ||||||||||
| Str2str | 10 | 3 months ago | mit | Python | ||||||
| Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024) | ||||||||||
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Molecular Dynamics