Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Keras Neural Graph Fingerprint | 41 | 5 years ago | 7 | mit | Python | |||||
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015 | ||||||||||
Geomconvert | 22 | 2 years ago | mit | Python | ||||||
A python utility to convert between XYZ and Z-matrix geometries. | ||||||||||
Occupation Matrix Control In Vasp | 9 | 5 years ago | 1 | mit | ||||||
Occupation matrix control modification VASP | ||||||||||
Comet Pytorch | 5 | 4 years ago | Jupyter Notebook | |||||||
COMET(Chemically Omnipotent Molecular Encoder from Transformer). Pre-trained GCN molecular encoder with atom-masking pre-training tasks |