Repositories list

• XRayPro

  Public
  A recommendation system for MOFs leveraging only PXRDs and precursors

  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Mar 4, 2025Mar 4, 2025

• xraypro-web

  Public
  Python

  •

  MIT License

  •0•0•0•0•Updated Feb 28, 2025Feb 28, 2025

• FABO

  Public
  Feature Adaptive Bayesian Optimization

  Jupyter Notebook

  •

  MIT License

  •0•1•0•0•Updated Jan 25, 2025Jan 25, 2025

• Eunomia

  Public
  Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts

  Python

  •

  MIT License

  •6•47•1•0•Updated Nov 13, 2024Nov 13, 2024

• chemprop

  Public
  Message Passing Neural Networks for Molecule Property Prediction

  Python

  •

  Other

  •613•0•0•0•Updated Jul 30, 2024Jul 30, 2024

• CrystalNets.jl

  Public
  A julia package for the manipulation of crystal net representations and topology

  Julia

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  MIT License

  •3•0•0•0•Updated Jul 29, 2024Jul 29, 2024

• cdvae-old

  Public
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

  Python

  •

  MIT License

  •103•0•0•0•Updated Mar 22, 2023Mar 22, 2023