rowan
K-Dense-AI/claude-scientific-skills
28,042Added Jun 5, 2026
molecular-modelingmedicinal-chemistrypka-predictiondockingprotein-ligandmolecular-dynamicscheminformaticsbatch-screening
Summary
Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.