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    8 repositories

    • yarp

      Public
      Object-oriented refactoring of the YARP package
      Python
      •
      Other
      •1•6•1•0•Updated Dec 12, 2024Dec 12, 2024

    • yaks

      Public
      A reaction network exploration algorithm
      GNU General Public License v3.0
      •0•1•0•0•Updated Oct 7, 2024Oct 7, 2024

    • papers

      Public
      Repository for storing light code, scripts, notebooks, and data associated with Savoie-Research-Group publications
      Jupyter Notebook
      •0•0•0•0•Updated Jul 9, 2024Jul 9, 2024

    • TCIT

      Public
      Open-source version of the TCIT heat of formation prediction method
      Python
      •0•1•0•0•Updated Jun 25, 2024Jun 25, 2024

    • MultiModalTransformer

      Public
      Implementation of multimode transformer architecture used for graph2graph, spectra2graph, and graph+spectra2rgaph prediction tasks
      Python
      •1•4•0•0•Updated Jun 7, 2024Jun 7, 2024

    • Delta2

      Public
      Pytorch implementation of our ∆2 model for predicting high-level fixed point properties from low-level fixed point geometries.
      Python
      •
      MIT License
      •0•0•0•0•Updated Mar 21, 2024Mar 21, 2024

    • EGAT

      Public
      Edge-Featured Graph Attention Network (EGAT) implementation for reaction and molecular property prediction
      Python
      •
      MIT License
      •0•6•0•0•Updated Feb 12, 2024Feb 12, 2024

    • main

      Public
      GNU General Public License v3.0
      •0•0•0•0•Updated Jul 31, 2018Jul 31, 2018