Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
Tools to interface ChIMES with various external codes.
Evaluation of universal machine learning force-fields https://arxiv.org/abs/2412.10516
CLI toolkit for training and applying DeePMD models
Tools to develop ChIMES parameter sets
AI-driven framework for automated ChIMES model development
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