Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Cando | 140 | 3 months ago | 8 | Mathematica | ||||||
Cando chemistry language | ||||||||||
Quick | 118 | 7 months ago | 25 | mpl-2.0 | C | |||||
QUICK: A GPU-enabled ab intio quantum chemistry software package | ||||||||||
Fpsim2 | 89 | 6 months ago | 7 | October 25, 2023 | 5 | mit | Python | |||
Simple package for fast molecular similarity searches | ||||||||||
Gpusimilarity | 85 | 3 months ago | 7 | bsd-3-clause | C++ | |||||
A Cuda/Thrust implementation of fingerprint similarity searching | ||||||||||
Bayesgrad | 48 | 5 years ago | mit | Jupyter Notebook | ||||||
BayesGrad: Explaining Predictions of Graph Convolutional Networks | ||||||||||
Moldqn Pytorch | 40 | 3 years ago | 4 | mit | Python | |||||
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning". | ||||||||||
Quick | 9 | 9 years ago | Objective-C | |||||||
QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK |