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@Tabor-Research-Group

Tabor Research Group

Repos from the Tabor Theoretical Chemistry Research Group in the Department of Chemistry at Texas A&M University.

Popular repositories

  1. Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences Public

    Jupyter Notebook 2

  2. reinvent_qc reinvent_qc Public

    Data and implementation of REINVENT with QC jobs

    Python 2 1

  3. gromacs_top_from_schrodinger gromacs_top_from_schrodinger Public

    This package converts Schrodinger output file to GROMACS topology with force field information. It also generates other files to initiate GROMACS simulation

    Python 1 4

  4. fast_reorg_energy_prediction 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

  5. ChemOS ChemOS Public

    Python

  6. phoenics phoenics Public

    Python

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