Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
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Deepmd Kit | 1,303 | 2 | 9 months ago | 44 | October 27, 2023 | 44 | lgpl-3.0 | C++ | ||
A deep learning package for many-body potential energy representation and molecular dynamics | ||||||||||
Schnetpack | 688 | 1 | 3 | 9 months ago | 10 | September 29, 2023 | 3 | other | Python | |
SchNetPack - Deep Neural Networks for Atomistic Systems | ||||||||||
Nequip | 478 | a year ago | 2 | June 21, 2022 | 17 | mit | Python | |||
NequIP is a code for building E(3)-equivariant interatomic potentials | ||||||||||
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 | 3 years ago | 5 | mit | Jupyter Notebook | |||||
Variational Autoencoder for Dimensionality Reduction of Time-Series | ||||||||||
Litmatter | 55 | a year ago | 2 | mit | Jupyter Notebook | |||||
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs. | ||||||||||
Mlff | 42 | 9 months ago | 4 | mit | Python | |||||
Build neural networks for machine learning force fields with JAX | ||||||||||
Aimnet | 31 | 5 years ago | 3 | mit | Python | |||||
Atoms In Molecules Neural Network Potential | ||||||||||
Vde_metadynamics | 20 | 6 years ago | 2 | mit | Python | |||||
Enhanced protein mutational sampling using time-lagged variational autoencoders | ||||||||||
Accelerated_sampling_with_autoencoder | 10 | 5 years ago | 1 | mit | Python | |||||
Accelerated sampling framework with autoencoder-based method |