Data and scripts for the "Transferable Machine Learning Interatomic Potential for Pd-Catalyzed Cross-Coupling Reactions" paper.
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资源简介：
Supplementary data and examples for geometry optimizations and transition-state searches using the AIMNet2-Pd MLIP to reproduce the results described in the paper:Anstine D, Zubatyuk R, Gallegos L, Paton R, Wiest O, Nebgen B, et al. The ChemRxiv. 2025; doi:10.26434/chemrxiv-2025-n36r6For the main code, please see our GitHub https://github.com/isayevlab/aimnetcentral
创建时间：
2025-10-02
