Skill UI

Query UCSF’s ZINC22 repository of 230M+ purchasable compounds via the web UI or CartBlanche APIs to fetch IDs/SMILES, run similarity, supplier, or random sampling, and assemble docking-ready libraries for virtual screening.

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. It enables pKa prediction, molecular docking, conformer search, and protein-ligand cofolding without local HPC infrastructure. Ideal for batch screening and multi-step chemistry pipelines in drug discovery.