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ev-tlt/MACE_finetuning_supplementary

Name: MACE_finetuning_supplementary
Creator: ev-tlt
License: cc-by-4.0
Keywords: license:cc-by-4.0, license:mit, license:cc-by-sa-4.0, arxiv:2606.12704, arxiv:2410.12771, region:us, chemistry, materials-science, machine-learning-interatomic-potentials, mace, foundation-models, fine-tuning, molecular-dynamics

MACE Fine-Tuning Supplementary Supplementary data and scripts for: Tompa, T. L.; Varga-Umbrich, E.; Batatia, I.; Elena, A. M.; Bernstein, N.; Csányi, G. Fine-tuning MLIP foundation models: strategies for accuracy and transferability (2026). arXiv:2606.12704. The repository contains training datasets, mace_run_train launch scripts, Slurm logs, fine-tuned model checkpoints (.model), evaluation scripts, and processed results for the paper. Benchmark systems: lithium argyrodite… See the full description on the dataset page: https://huggingface.co/datasets/ev-tlt/MACE_finetuning_supplementary.

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Author / organization	ev-tlt
License (as declared)	cc-by-4.0
Downloads	816 (as reported by Hugging Face)
Likes	0
Created	17 December 2025
Last updated at source	14 September 2026

chemistrymaterials-sciencemachine-learning-interatomic-potentialsmacefoundation-modelsfine-tuningmolecular-dynamics

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