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  1. process-intelligence-research/SFILES2 process-intelligence-research/SFILES2 Public

    Conversion between PFDs/P&IDs and SFILES 2.0 strings

    Jupyter Notebook 49 14

  2. Intelligent-molecular-systems/Inverse_copolymer_design Intelligent-molecular-systems/Inverse_copolymer_design Public

    Code for "Graph-to-String Variational Autoencoder for Synthetic Polymer Design"

    Python 9 3

  3. jan-janssen/LangSim jan-janssen/LangSim Public

    Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim

    Jupyter Notebook 61 14