Skill UI

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.

Unified Python library with 100+ molecular featurizers and pretrained embeddings. Converts SMILES or RDKit molecules into ML-ready numerical features for QSAR modeling, virtual screening, similarity search, and deep learning.

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.