Software Development
Rowan
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.
- Publisher / source
- KalarisLabs/research-agent-skills (found on the CSV list)
- Upstream record
- KalarisLabs/research-agent-skills
- Version
- Version 2
- Published
- Publication review
- Approved for publication
- Content fingerprint
8fe6a3a351291ad28ba2257850199c26f72fd8d3666b3d2317557fad6a04926a