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Achievements

Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: StarstruckAchievement: Arctic Code Vault Contributor
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@materialsproject
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Pinned

  1. rxnrep rxnrep Public

    Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.

    Python 29 5

  2. bondnet bondnet Public

    A graph neural network for the prediction of bond dissociation energies for molecules of any charge.

    Python 49 12

  3. openkim/kliff openkim/kliff Public

    KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

    Python 32 20

  4. openkim/kimpy openkim/kimpy Public

    Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.

    C++ 13 4