Repositories list

• MatterTune

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

  Jupyter Notebook

  •

  MIT License

  •9•56•0•2•Updated Sep 2, 2025Sep 2, 2025

• ActiveStructOpt

  Public
  Jupyter Notebook

  •5•0•0•0•Updated Sep 2, 2025Sep 2, 2025

• MatDeepLearn_dev

  Public
  Python

  •15•18•2•5•Updated Jul 21, 2025Jul 21, 2025

• DOSMatGen

  Public
  Electronic Structure Guided Inverse Design Using Generative Models

  Jupyter Notebook

  •

  GNU General Public License v3.0

  •1•10•0•0•Updated Apr 25, 2025Apr 25, 2025

• MatStructPredict

  Public
  Python

  •

  MIT License

  •2•1•0•2•Updated Nov 21, 2024Nov 21, 2024

• LLMatDesign

  Public
  Autonomous Materials Discovery with Large Language Models

  Python

  •

  MIT License

  •4•18•1•0•Updated Oct 23, 2024Oct 23, 2024

• AI-materials-VIP

  Public
  This is the github repository for the Accelerating Materials Discovery with AI VIP team

  1•1•0•0•Updated Aug 21, 2023Aug 21, 2023

• MatDeepLearn

  Public
  MatDeepLearn, package for graph neural networks in materials chemistry

  Python

  •42•196•10•0•Updated Mar 20, 2023Mar 20, 2023

• StructRepGen

  Public
  Atomic Structure Generation from Reconstructing Structural Fingerprints

  Python

  •

  MIT License

  •5•15•0•0•Updated Oct 6, 2022Oct 6, 2022