DFT data for "Biomolecular Dynamics with Machine Learned Quantum-Mechanical Force Fields Trained on Diverse Chemical Fragments"

Name: DFT data for "Biomolecular Dynamics with Machine Learned Quantum-Mechanical Force Fields Trained on Diverse Chemical Fragments"
Creator: Google
Published: 2024-02-28T00:00:00+08:00

Zenodo2024-02-28 更新2026-04-07 收录

分子动力学模拟

机器学习力场

数据链接：

https://zenodo.org/doi/10.5281/zenodo.10720941 数据链接链接失效反馈

官方服务：

资源简介：

DFT data used for training the model in "Biomolecular Dynamics with Machine Learned Quantum-Mechanical Force Fields Trained on Diverse Chemical Fragments".

提供机构：

Google

创建时间：

2024-02-28