Repositories list

• LocalTransform

  Public
  Predicting Organic Reactivity with LocalTransform

  artificial-intelligencereaction-predictionpytorch

  Jupyter Notebook

  •

  Apache License 2.0

  •6•40•0•0•Updated Jul 11, 2024Jul 11, 2024

• Synthesizability-stoi-CGNF

  Public
  Python

  •0•4•0•0•Updated Jun 12, 2024Jun 12, 2024

• LocalRetro

  Public
  Retrosynthesis prediction for organic molecules with LocalRetro

  machine-learningretrosynthesis

  Python

  •25•88•0•0•Updated May 30, 2024May 30, 2024

• ElemwiseRetro

  Public
  Predicting Synthesis Recipes of Inorganic Crystal Materials using Elementwise Template Formulation

  Python

  •1•8•1•0•Updated Apr 19, 2024Apr 19, 2024

• Cryslator

  Public
  Python

  •8•12•0•0•Updated Jun 26, 2023Jun 26, 2023

• PerovskiteSynthesizability_Manuscript2021

  Public
  Python

  •2•6•0•0•Updated Jan 10, 2023Jan 10, 2023

• CGCNN-HD

  Public
  Python

  •1•10•0•0•Updated Aug 5, 2022Aug 5, 2022

• Composition-Conditioned-Crystal-GAN

  Public
  Composition-Conditioned Crystal GAN pytorch code

  Python

  •17•41•3•0•Updated Feb 28, 2022Feb 28, 2022

• imatgen

  Public
  image-based generative model for inverse design of solid state materials

  Python

  •12•39•2•0•Updated Feb 18, 2022Feb 18, 2022

• Synthesizability-PU-CGCNN

  Public
  Python

  •4•26•2•0•Updated Feb 17, 2022Feb 17, 2022

• HazardousPredetection

  Public
  Jupyter Notebook

  •0•3•0•0•Updated Jun 24, 2021Jun 24, 2021

• LS-CGCNN-ens

  Public
  Labeled site representation and ensemble method for binding energy prediction

  Python

  •1•4•0•0•Updated Apr 9, 2021Apr 9, 2021

• JPtNW_Manuscript2021

  Public
  0•2•1•0•Updated Feb 18, 2021Feb 18, 2021

• graphnetwork

  Public
  Python

  •0•0•0•0•Updated Oct 8, 2019Oct 8, 2019