Software Development
Rowan
Rowan is a cloud-native platform that provides a Python API for end‑to‑end molecular modeling and medicinal chemistry workflows. It predicts pKa, generates conformer and tautomer ensembles, performs docking and analogue docking, co‑folds protein–ligand complexes, creates multiple sequence alignments, runs molecular dynamics, and calculates permeability and descriptors. The platform enables programmatic batch screening and multi‑step chemistry pipelines, eliminating the need for local HPC or GPU infrastructure.
- Publisher / source
- Scientific Agent Skills
- Upstream record
- K-Dense-AI/scientific-agent-skills
- Version
- Version 7
- Published
- Publication review
- Approved for publication
- Content fingerprint
d631f00ae0f9325aa58912bb571b7eb43bc42c553498e4c97f4d65a1683c8599