PyPI page
Author:
Davide Boldini
Summary:
Neural networks for molecular property prediction
Latest version:
0.0.28
Required dependencies:
mlflow-skinny
|
numpy
|
pandas
|
plotly
|
pydantic
|
rdkit
|
scikit-fingerprints
|
scikit-learn
|
scipy
|
umap-learn
Optional dependencies:
chemprop
|
einops
|
fastparquet
|
lightning
|
mlflow
|
optuna
|
optuna-integration
|
torch
|
torch-geometric
|
transformers
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