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Author:
Scigantic
License:
MIT-0
Summary:
Query ChEMBL directly from a public S3 mirror with DuckDB, including a pre-joined potency table, similarity search, and substructure search.
Latest version:
0.5.1
Required dependencies:
duckdb
|
numpy
|
pandas
|
pyarrow
Optional dependencies:
mypy
|
pandas-stubs
|
pytest
|
pytest-cov
|
rdkit
|
scigantic-surechembl
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