Tabor Research Group
- 11 followers
- College Station, TX
- https://dtaborgroup.com/
Popular repositories Loading
-
-
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 4
-
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
-
Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences
Predicting-Disordered-Polymer-Folding-Behavior-Directly-from-Sequences PublicJupyter Notebook 2
-
redox_mol_screening
redox_mol_screening PublicData and GP model for reduction potential calibration
Jupyter Notebook 1
Repositories
- hpclib Public
Tabor-Research-Group/hpclib’s past year of commit activity - docker-postgres-rdkit Public Forked from mcs07/docker-postgres-rdkit
PostgreSQL Docker image with RDKit cartridge
Tabor-Research-Group/docker-postgres-rdkit’s past year of commit activity - efficient-internal-coordinates Public
Supplementary data and code for A Straightforward Construction of Arbitrary Order Internal Coordinate Transformations with Applications to Understanding Complicated Chemical Phenomena
Tabor-Research-Group/efficient-internal-coordinates’s past year of commit activity - pyGSM Public Forked from ZimmermanGroup/pyGSM
Thermal and photochemical reaction path optimization and discovery
Tabor-Research-Group/pyGSM’s past year of commit activity
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…