ACEsuit/mace-foundations
MACE foundation models (MP, OMAT, mh-1)
This provides pre-trained computational models for materials chemistry, helping scientists and researchers understand how different materials behave at an atomic level. You input structural information about chemical elements and it outputs predictions about their properties, like stability under pressure or vibrational characteristics (phonons). Materials scientists, chemists, and physicists who study the properties of materials would use these models.
211 stars.
Use this if you need to simulate and predict the properties of various materials, including inorganic crystals, molecules, and surfaces, across 89 chemical elements without conducting expensive and time-consuming physical experiments.
Not ideal if your work involves chemical elements beyond the 89 covered, or if you need to study biological molecules or very specific, highly customized material systems outside the scope of general materials chemistry.
Stars
211
Forks
22
Language
Shell
License
MIT
Category
Last pushed
Feb 23, 2026
Commits (30d)
0
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