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Bibliographic Details
Main Author: Jiang, Xinyu
Format: Recurso digital
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Published: Zenodo 2026
Online Access:https://doi.org/10.5281/zenodo.20305751
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  • <p>Our paper: Deep Residual Learning for Molecular Force Fields (Under Review)</p> <p><strong>Gen2-Opt.zip</strong> contains Gen2 Optimization training data, including xyz/hdf5 format and dgl graphs.</p> <p><strong>DES370K.zip</strong> contains dimer training data extracted from SPICE-1.1.4, including xyz format and dgl graphs.</p>