PaiNN dataset and model for LGPS
收藏DataCite Commons2025-06-01 更新2024-07-29 收录
下载链接：
https://figshare.com/articles/dataset/PaiNN_dataset_and_model_for_LGPS/21505428/1
下载链接
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资源简介：
Can be used to run MD with the NeuralForceField repository. Units for the dataset are: kcal/mol for energy, kcal/mol-Å for forces, Å for units of length.
提供机构：
figshare
创建时间：
2022-11-05
