Rosen Group Handbook
Machine Learning
Foundation MLIP Families
Foundation MLIP Families
The goal here is not to outline every MLIP architecture but rather to list actively maintained MLIP families that offer several pre-trained foundation models and some infrastructure for model training/fine-tuning.
Model Architecture
Link
UMA
GitHub - facebookresearch/fairchem: FAIR Chemistry's library of machine learning methods for chemistry
UPET
Available models - UPET
MACE
GitHub - ACEsuit/mace-foundations: MACE foundation models (MP, OMAT, mh-1)
GRACE
Foundation models - gracemaker
TACE
GitHub - xvzemin/tace-foundations: TACE foundational models
SevenNet
Pretrained models — SevenNet 0.13.0 documentation