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Author:
Scigantic
License:
MIT-0
Summary:
SureChEMBL patent chemistry from Python: compounds by id, name, SMILES or InChIKey, structure search, patents by compound, Solr full-text search, full patent documents with their extracted chemistry, DOCDB families, ChEMBL/PubChem/DrugBank/ChEBI/PDB/BindingDB cross-references via UniChem, the bulk parquet releases read in place from EBI with DuckDB, and joins into scigantic-chembl, scigantic-bindingdb and scigantic-pubchem. No mirror, no download, no key.
Latest version:
0.3.1
Required dependencies:
requests
Optional dependencies:
duckdb
|
fpsim2
|
mypy
|
pandas
|
pandas-stubs
|
pytest
|
rdkit
|
scigantic-bindingdb
|
scigantic-chembl
|
scigantic-pubchem
|
types-requests
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