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  1. coleygroup/rxn-ebm coleygroup/rxn-ebm Public

    Energy-based modeling of chemical reactions

    Python 29 7

  2. neuralsym neuralsym Public

    Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication

    Python 31 7

  3. tree_gen_net tree_gen_net Public

    re-implementation of Gao et al's paper on amortized molecular generation (2021)

    Python

  4. neural-net-numpy neural-net-numpy Public

    a neural network from scratch in numpy

    Python

  5. algorithms algorithms Public

    Python

  6. energy_production_forecasting energy_production_forecasting Public

    Forked from kristoforusbryant/energy_production_forecasting

    Energy Demand Modelling for AI4Impact Datathon

    Jupyter Notebook 1