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GitHub / pnnl / solubility-prediction-paper
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pnnl%2Fsolubility-prediction-paper
Stars: 8
Forks: 2
Open Issues: 0
License: other
Language: Jupyter Notebook
Repo Size: 38.3 MB
Dependencies:
19
Created: almost 3 years ago
Updated: over 1 year ago
Last pushed: almost 2 years ago
Last synced: over 1 year ago
Files
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Readme
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Dependencies
requirements.txt
pypi
- Keras ==2.3.1
- ase ==3.20.1
- h5py ==2.10.0
- mordred ==1.2.0
- networkx ==2.5
- numpy ==1.18.4
- openbabel ==3.1.0
- pandas ==1.0.1
- rdkit ==2019.09.1
- schnetpack ==0.3
- scikit-learn ==0.23.2
- scipy ==1.4.1
- tensorflow ==2.1.0
- torch ==1.5.0
- torch-cluster ==1.5.5
- torch-geometric ==1.5.0
- torch-scatter ==2.0.4
- torch-sparse ==0.6.5
- torch-spline-conv ==1.2.0