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Savoie-Research-Group

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  1. yarp yarp Public

    Object-oriented refactoring of the YARP package

    Python 18 4

  2. EGAT EGAT Public

    Edge-Featured Graph Attention Network (EGAT) implementation for reaction and molecular property prediction

    Python 9

  3. MultiModalTransformer MultiModalTransformer Public

    Implementation of multimode transformer architecture used for graph2graph, spectra2graph, and graph+spectra2rgaph prediction tasks

    Python 4 1

  4. yaks yaks Public

    A reaction network exploration algorithm

    3

  5. COGA COGA Public

    A Genetic Algorithm which accepts structural and thermodynamic molecular data to parametrize CGMD force fields.

    Python 3

  6. papers papers Public

    Repository for storing light code, scripts, notebooks, and data associated with Savoie-Research-Group publications

    Python 1

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