Systematic Fine-Tuning of MACE Interatomic Potentials for Catalysis
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https://zenodo.org/doi/10.5281/zenodo.20043317
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资源简介：
This is a dataset of the study "Fine-tuning Analysis of MACE Machine-learned Interatomic Potentials for Catalytic Reactions", currectnly availabe in arXiv as arXiv:2605.09394
mh_fine_tune.zip : Includes the 30K selected replay dataset from OMAT and 6 different version of the fine-tuned MLIPs
from_scratch.zip : Includes all the from-scratch MLIPs
dataset.zip : Includes all the datasets that were used for the training of the MLIP
screening.zip : Includes the adsorptioni energytask for 90,781 configurations
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Zenodo创建时间：
2026-05-12
