Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Schnetpack | 688 | 1 | 3 | 3 months ago | 10 | September 29, 2023 | 3 | other | Python | |
SchNetPack - Deep Neural Networks for Atomistic Systems | ||||||||||
Torchmd | 465 | 1 | 3 months ago | 5 | July 17, 2023 | 10 | mit | Python | ||
End-To-End Molecular Dynamics (MD) Engine using PyTorch | ||||||||||
Gpumd | 273 | 3 months ago | 18 | gpl-3.0 | Cuda | |||||
Graphics Processing Units Molecular Dynamics | ||||||||||
Torchmd Net | 238 | 3 months ago | 26 | mit | Python | |||||
Neural network potentials | ||||||||||
Tensormol | 190 | 6 years ago | 1 | November 08, 2017 | 16 | gpl-3.0 | Python | |||
Tensorflow + Molecules = TensorMol | ||||||||||
Mddatasetbuilder | 34 | 4 months ago | 27 | September 08, 2023 | 1 | lgpl-3.0 | Python | |||
A script to build reference datasets for training neural network potentials from given LAMMPS trajectories. | ||||||||||
Aimnet | 31 | 4 years ago | 3 | mit | Python | |||||
Atoms In Molecules Neural Network Potential | ||||||||||
Lstm Predict Md | 30 | 2 years ago | 1 | mit | Jupyter Notebook | |||||
Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network | ||||||||||
Encodermap | 24 | 7 months ago | 12 | November 19, 2019 | 1 | lgpl-3.0 | Python | |||
python library for dimensionality reduction | ||||||||||
Nap | 20 | 6 months ago | mit | Fortran | ||||||
Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;) |