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chimie-paristech-CTM

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  1. TS-tools TS-tools Public

    This is the repository corresponding to the TS-tools project.

    Python 23 4

  2. ML_DFT_benchmarking ML_DFT_benchmarking Public

    Python 5

  3. Hidden_vs_Desc Hidden_vs_Desc Public

    Harnessing Surrogate Models for Data-efficient Predictive Chemistry: Descriptors vs. Learned Hidden Representations

    Python 5

  4. bde_hat bde_hat Public

    Generation of hydrogen atom transfer reaction dataset and complementary codes

    Python 2

  5. energy_predictor_HAT energy_predictor_HAT Public

    Prediction of activation energies with on-the-fly quantum mechanical descriptors

    Python 2

  6. thermo_GNN thermo_GNN Public

    Python 2 1

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