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    13 repositories

    • HyperGraphNeuralNetworks.jl

      Public
      HyperGraphNeuralNetworks.jl is a (hyper)graph neural network library written in Julia meant to be used with the machine learning library Lux.jl. It is strongly …
      Julia
      •
      MIT License
      •1•0•0•2•Updated Feb 27, 2026Feb 27, 2026

    • CoReACTER-manual

      Public
      The research organization manual for the CoReACTER
      Typst
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      Other
      •0•0•0•0•Updated Dec 5, 2025Dec 5, 2025

    • standard_operating_procedures

      Public
      Standard operating procedures (SOP) for CoReACTER research
      GNU General Public License v3.0
      •1•0•0•0•Updated Dec 5, 2025Dec 5, 2025

    • coreacter.github.io

      Public
      Website for the CoReACTER
      Julia
      •0•0•0•0•Updated Dec 4, 2025Dec 4, 2025

    • pedagogy

      Public
      Teaching materials developed within the CoReACTER, mainly for courses in the Chemical Engineering department of Carnegie Mellon University
      Julia
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      Other
      •0•0•0•0•Updated Nov 28, 2025Nov 28, 2025

    • SimpleDirectedHypergraphs.jl

      Public
      An package for directed hypergraphs in the Julia programming language, extending SimpleHypergraphs.jl
      Julia
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      MIT License
      •0•2•0•1•Updated Nov 27, 2025Nov 27, 2025

    • HypergraphDatasets.jl

      Public
      Datasets for hypergraph machine learning
      Julia
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      MIT License
      •0•0•0•2•Updated Nov 24, 2025Nov 24, 2025

    • DANGER

      Public
      DANGER: A DAta-driven Network GEneration Resource
      Python
      •0•0•0•0•Updated Jul 10, 2025Jul 10, 2025

    • umpire

      Public
      Unsupervised Material Phase Identification for Reaction Exploration (UMPIRE) is a model aimed at identifying (potentially novel or unknown) material phases from…
      Python
      •
      GNU Lesser General Public License v2.1
      •0•2•0•0•Updated Jul 2, 2025Jul 2, 2025

    • .github

      Public
      Basic information about the CoReACTER
      0•0•0•0•Updated Jun 3, 2025Jun 3, 2025

    • chem-ethics-synthesis

      Public
      Coding analysis of various codes of professional ethics for the manuscript "Considering the Ethics of Large Machine Learning Models in the Chemical Sciences"
      0•0•0•0•Updated May 6, 2025May 6, 2025

    • ReNAE

      Public
      Reaction Network Active Exploration (ReNAE), for automated construction of reaction networks using active learning of chemical properties.
      GNU General Public License v3.0
      •0•3•0•0•Updated May 23, 2024May 23, 2024

    • GPS-TS

      Public
      Geodesic path search for transition-states
      Python
      •
      GNU General Public License v3.0
      •1•6•1•0•Updated Mar 28, 2024Mar 28, 2024