@haybarn/ext-ducksmiles-h1-5-5
MITCheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES; descriptors (LogP, TPSA, QED), Morgan/MACCS fingerprints + similarity, drug-likeness/toxicophore filters, and a native in-silico docking pipeline, from SQL
100
Security score
0 known advisories in v202609.5.125108
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4.0 kB
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0
Last publish
11 days ago
Security advisories
No known vulnerabilities affect v202609.5.125108.