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    6 repositories

    • ocelot_api

      Public
      Python
      •
      MIT License
      •3•5•0•0•Updated Jul 8, 2025Jul 8, 2025

    • ocelot_mlp

      Public
      The trained ML potential
      Jupyter Notebook
      •1•0•0•1•Updated Apr 14, 2025Apr 14, 2025

    • Ogre

      Public
      Ogre: A Python Package for Molecular Crystal Surface Generation with Applications to Surface Energy and Crystal Habit Prediction
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•0•0•0•Updated Mar 20, 2025Mar 20, 2025

    • ocelotml_2d

      Public
      This repository contains the code to download the OCELOT chromophore dataset and use the pretrained models to make predictions
      Jupyter Notebook
      •
      MIT License
      •3•7•0•1•Updated Apr 23, 2023Apr 23, 2023

    • ocelotml_coupling

      Public
      OCELOTML Coupling
      Jupyter Notebook
      •2•0•0•0•Updated Mar 21, 2023Mar 21, 2023

    • solvent_nlp

      Public
      The repository contains files for extracting crystallization solvent from supplementary information PDFs.
      Python
      •
      MIT License
      •0•0•0•0•Updated Nov 17, 2022Nov 17, 2022