Training data of ResFF
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资源简介：
Our paper: Deep Residual Learning for Molecular Force Fields (Under Review) Gen2-Opt.zip contains Gen2 Optimization training data, including xyz/hdf5 format and dgl graphs. DES370K.zip contains dimer training data extracted from SPICE-1.1.4, including xyz format and dgl graphs.
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Zenodo创建时间：
2026-05-21
