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Author:
Tony Eight Lin
Summary:
Tools for Cheminformatic Workflows.
Latest version:
0.0.3
Required dependencies:
datamol
|
fsspec
|
ipython
|
legendkit
|
matplotlib
|
numpy
|
pandas
|
pillow
|
rdkit
|
requests
|
scikit-learn
|
scipy
|
seaborn
|
splito
|
tqdm
|
umap-learn
Optional dependencies:
keras
|
meeko
|
molminer
|
optuna
|
prolif
|
safe-mol
|
torch
|
transformers
|
vina
|
xgboost
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