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  1. pytorch-sgvae pytorch-sgvae Public

    Forked from Monge88/pytorch-sgvae

    A pytorch implementation of the model presented in the paper Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder

    Python

  2. ReactionMechanismGenerator/ARC ReactionMechanismGenerator/ARC Public

    ARC - Automatic Rate Calculator

    Python 48 24

  3. TCKDB/TCKDB TCKDB/TCKDB Public

    Theoretical Chemical Kinetics Database

    Python 4 2