rowan
K-Dense-AI/scientific-agent-skills
Rowan is a comprehensive, cloud-native platform accessible via a Python API for molecular simulation and medicinal chemistry. It streamlines complex drug discovery workflows, including pKa prediction, conformer searching, molecular docking (single and analogue series), protein-ligand cofolding, and molecular dynamics. It eliminates the need for local HPC/GPU infrastructure, making programmatic batch screening and multi-step chemistry pipelines highly scalable and reliable.