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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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 | ||||||||||
Gpumd | 273 | 9 months ago | 18 | gpl-3.0 | Cuda | |||||
Graphics Processing Units Molecular Dynamics | ||||||||||
Allegro | 169 | a year ago | mit | Python | ||||||
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials | ||||||||||
Sgdml | 124 | a year ago | 10 | mit | Python | |||||
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model | ||||||||||
Nnpops | 60 | a year ago | 1 | March 15, 2022 | 24 | other | C++ | |||
High-performance operations for neural network potentials | ||||||||||
Litmatter | 55 | a year ago | 2 | mit | Jupyter Notebook | |||||
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs. | ||||||||||
Uf3 | 51 | 9 months ago | 2 | October 27, 2023 | 17 | apache-2.0 | Python | |||
UF3: a python library for generating ultra-fast interatomic potentials | ||||||||||
Mlff | 42 | 9 months ago | 4 | mit | Python | |||||
Build neural networks for machine learning force fields with JAX | ||||||||||
Molearn | 33 | a year ago | 2 | May 31, 2022 | 3 | gpl-3.0 | Python | |||
protein conformational spaces meet machine learning |