PengYangchao0808/AutoCalcPlatform

ACP(Auto-Calc Platform) 是一个模块化的计算化学自动化平台,面向化学、药物设计和材料科学研究人员。它通过统一的 CLI 和 Web API,将构象搜索、DFT 优化、单点能计算、热力学修正、NMR 化学位移以及过渡态/IRC 验证等复杂流程封装成可一键运行的流水线,降低量子化学计算的使用门槛

GitHub repository with 5 stars and 0 forks.

Language: Python

Open provider repository

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2026-11-02: 5 stars and 0 forks.

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