Searching protocol for "SMILES"
Explore ZINC22 compounds for docking and screening.
Discover purchasable compounds, accelerate drug discovery.
Cheminformatics in Python, made simple.
Query PubChem by name, CID, SMILES with property access.
Access ZINC's 230M+ compounds.
Generate adsorbates and intermediates
Access ZINC's 230M+ compounds.
RDKit-based cheminformatics: molecule IO, descriptors, and fingerprints.
Molecular featurization for ML
Molecular featurization for ML
Molecular featurization for ML
Molecular featurization for ML