Data Science & Analytics
Rowan
Cloud-based quantum chemistry platform providing a Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformational search, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Suitable for tasks involving quantum chemistry calculations, molecular property prediction, DFT or semi-empirical methods, neural network potentials (AIMNet2), protein-ligand binding prediction, or automated computational chemistry pipelines. Provides cloud computing resources without local installation.
- Publisher / source
- aipoch/medical-research-skills (found on GitHub top repositories)
- Upstream record
- aipoch/medical-research-skills
- Version
- Version 1
- Published
- Publication review
- Approved for publication
- Content fingerprint
4256490921e896b9276b3dac14ce9de032c66a66db94cb7c8031d395c1226b21