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Author:
Alessio Prunotto
Summary:
Quality checks for molecular datasets: integrity, duplicates, leakage, ML readiness, and chemical space
Latest version:
0.1.0
Required dependencies:
numpy
|
openpyxl
|
pandas
|
pyarrow
|
rdkit
|
scipy
Optional dependencies:
ipykernel
|
jupyter
|
nbclient
|
nbformat
|
pytest
|
pytest-cov
|
rich
|
ruff
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