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Pinned

  1. Tabor-Research-Group/reinvent_qc Tabor-Research-Group/reinvent_qc Public

    Data and implementation of REINVENT with QC jobs

    Python 2 1

  2. Tabor-Research-Group/fast_reorg_energy_prediction Tabor-Research-Group/fast_reorg_energy_prediction Public

    Data and implementation of ChIRo and SchNet for "Accelerating Organic Electronic Materials Design with Low-Cost Molecular Reorganization Energy Predictions"

    Jupyter Notebook 1

  3. Tabor-Research-Group/redox_mol_screening Tabor-Research-Group/redox_mol_screening Public

    Data and GP model for reduction potential calibration

    Jupyter Notebook