Skill UI

Programmatically query ChEMBL bioactive molecules, targets, and approved drugs via the Python client; filter by structure, properties, activities, and indications to support inhibitor hunting or SAR studies for medicinal chemistry.

Cloud-native Rowan orchestrates medicinal chemistry and molecular modeling pipelines via a Python API, offering pKa prediction, docking, descriptors, dynamics, and AI-driven structure workflows for scalable batch screening without local HPC.

Rowan is a cloud-native workflow platform accessed via Python API, designed for molecular simulation, medicinal chemistry, and structure-based drug design. It enables programmatic batch screening of properties (like pKa, descriptors), conformer generation, molecular docking, and protein cofolding without requiring local HPC/GPU infrastructure. Ideal for scalable, multi-step chemistry pipelines in drug discovery.