ZooWork
ZooWork Market · Skill

rowan

Cloud-based quantum chemistry platform with a Python API. Ideal for computational chemistry workflows such as pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein–ligand docking (AutoDock Vina), and AI-driven protein cofolding (Chai-1, Boltz-1/2). Use it when tasks require quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural-network potentials (AIMNet2), protein–ligand binding predictions, or automated computational chemistry pipelines. Provides cloud compute resources with no local setup required.

reikiplanet
reikiplanet-daoskills-scientific-rowan · v1.0.1
分类devops-cloud
安装次数11
更新时间2026-09-01T17:20:11.012Z
校验状态待验证