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Author:
None
License:
MIT
Summary:
Deep learning packages for molecular discovery with a simple sklearn-style interface
Latest version:
0.1.7
Required dependencies:
huggingface_hub
|
joblib
|
networkx
|
numpy
|
optuna
|
rdkit
|
scikit_learn
|
scipy
|
torch
|
torch-geometric
|
tqdm
Optional dependencies:
black
|
flake8
|
isort
|
pytest
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