mace-foundations
/

mace-mh-1

materials-science

molecular-dynamics

interatomic-potential

machine-learning-force-field

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ilyesb commited on Nov 27, 2025

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@@ -33,7 +33,7 @@ tags:
 - **Architecture**: MACE
 - **Interaction Blocks**: Non-linear
 - **Training Stages**: Pre-training on OMAT-24 (100M inorganic crystals) + Multi-head fine-tuning on diverse datasets
-- **Hyper-Parameters**: 512 node channels, 128 edge channels, L=2, max_ell=3, 2 layers
 - **Chemical Coverage**: 89 elements
 - **Cutoff Radius**: 6 Å
 - **Multiple Heads**: OMAT PBE (main), OMOL (ωB97M-VV10), OC20 (surfaces), SPICE, RGD1, MPTraj, Matpes (r2scan)

 - **Architecture**: MACE
 - **Interaction Blocks**: Non-linear
 - **Training Stages**: Pre-training on OMAT-24 (100M inorganic crystals) + Multi-head fine-tuning on diverse datasets
+- **Hyper-Parameters**: 512 node channels, 128 edge channels, L=1, max_ell=3, 2 layers
 - **Chemical Coverage**: 89 elements
 - **Cutoff Radius**: 6 Å
 - **Multiple Heads**: OMAT PBE (main), OMOL (ωB97M-VV10), OC20 (surfaces), SPICE, RGD1, MPTraj, Matpes (r2scan)