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 in

Install

KitScout test notes

Not tested by KitScout yet. When our harness runs it, pros, cons and the tasks we tried appear here, with the date and evidence.

Similar tools

• reverse-engineer-anything 456,653 ★
  Reverse engineer native, managed, Electron/JavaScript, packaged, firmware, and browser targets with REA, and b
• scaffold-exercises 323,485 ★
  Create exercise directory structures with sections, problems, solutions, and explainers that pass linting. Use
• wait-what 323,485 ★
  Stop. That last message did not land: re-pitch it.
• template-skill 193,970 ★
  Replace with description of the skill and when Claude should use it.
• ponytail-debt 190,107 ★
  List every `shortcut:` comment (and older `ponytail:` ones) as a debt ledger. One-shot report, changes nothing