Tabor Research Group
- 3 followers
- College Station, TX
- https://dtaborgroup.com/
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Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences
Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences PublicJupyter Notebook 2
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gromacs_top_from_schrodinger
gromacs_top_from_schrodinger PublicThis package converts Schrodinger output file to GROMACS topology with force field information. It also generates other files to initiate GROMACS simulation
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fast_reorg_energy_prediction
fast_reorg_energy_prediction PublicData and implementation of ChIRo and SchNet for "Accelerating Organic Electronic Materials Design with Low-Cost Molecular Reorganization Energy Predictions"
Jupyter Notebook 1
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Repositories
- 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 - 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 - 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
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