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  • Boston, MA
  • 11:53 (UTC -04:00)

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Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Pull Sharkx2

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@chemprop

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KnathanM/README.md

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  1. chemprop/chemprop chemprop/chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 2.5k 759

  2. ReactionMechanismGenerator/RMG-Py ReactionMechanismGenerator/RMG-Py Public

    Python version of the amazing Reaction Mechanism Generator (RMG).

    Python 530 261

  3. NVIDIA-BioNeMo/cuik-molmaker NVIDIA-BioNeMo/cuik-molmaker Public

    cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effectively used as inputs for deep learning models, particularl…

    C++ 37 5

  4. ReactionMechanismGenerator/RMG-website ReactionMechanismGenerator/RMG-website Public

    A Django-powered website for Reaction Mechanism Generator (RMG)

    Python 22 30

  5. QuantumPioneer/database QuantumPioneer/database Public

    Jupyter Notebook 7 3

  6. coleygroup/notes-1034 coleygroup/notes-1034 Public

    Jupyter Notebook 1 1