Skip to content
@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 Loading

  1. reinvent_qc reinvent_qc Public

    Data and implementation of REINVENT with QC jobs

    Python 3 1

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

    Jupyter Notebook 2

  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

Repositories

Showing 8 of 8 repositories
  • reinvent_qc Public

    Data and implementation of REINVENT with QC jobs

    Tabor-Research-Group/reinvent_qc’s past year of commit activity
    Python 3 Apache-2.0 1 0 0 Updated Aug 30, 2023
  • phenylpyrole-dvr Public

    Code and data for simulation of spectra of 1-Phenylpyrole and 1-Phenylpyrole + Water complex

    Tabor-Research-Group/phenylpyrole-dvr’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jun 19, 2023
  • Tabor-Research-Group/Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences’s past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated Mar 30, 2023
  • 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"

    Tabor-Research-Group/fast_reorg_energy_prediction’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Mar 28, 2023
  • redox_mol_screening Public

    Data and GP model for reduction potential calibration

    Tabor-Research-Group/redox_mol_screening’s past year of commit activity
    Jupyter Notebook 0 0 1 0 Updated Mar 4, 2022
  • 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

    Tabor-Research-Group/gromacs_top_from_schrodinger’s past year of commit activity
    Python 1 4 0 1 Updated Mar 3, 2022
  • phoenics Public
    Tabor-Research-Group/phoenics’s past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Dec 14, 2020
  • ChemOS Public
    Tabor-Research-Group/ChemOS’s past year of commit activity
    Python 0 0 0 0 Updated Dec 14, 2020

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…