rowan

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use it for pKa and macropKa prediction, conformer and tautomer ensemble generation, docking and analogue docking, protein–ligand cofolding, MSA generation, molecular dynamics, permeability and descriptor workflows, and related small-molecule or protein modeling tasks. It is ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.