/tools/MatterTune

MatterTune

Fung-Lab/MatterTune

71 stars8 forksJupyter NotebookWebsiteAdded February 5, 2026
summary

MatterTune is a machine learning library that allows computational chemists and materials scientists to fine-tune pre-trained models for various molecular properties such as energy and forces. It supports multiple dataset formats and provides tools for training and optimizing atomistic models.

description

A unified platform for fine-tuning atomistic foundation models in chemistry and materials science

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