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Author:
None
Summary:
Biased Data Splitting Method for Chemically Meaningful Model Validation
Latest version:
0.1.1
Required dependencies:
matplotlib
|
networkx
|
numpy
|
pandas
|
pyarrow
|
pygraphviz
|
rdkit
|
scikit-learn
|
scipy
|
statsmodels
|
xgboost
Optional dependencies:
chemprop
|
ipykernel
|
lightning
|
notebook
|
torch
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