Keith Lab in Computational Chemistry
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- Pittsburgh, PA
- https://www.klic.pitt.edu/
- @jakeith01
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- BEBOP1_v2.0.0 Public
This repository has our group's most recent and production-ready version of the BEBOP1 code.
keithgroup/BEBOP1_v2.0.0’s past year of commit activity - bebop-qc Public
keithgroup/bebop-qc’s past year of commit activity - mbGDML Public
Create, use, and analyze machine learning potentials within the many-body expansion framework.
keithgroup/mbGDML’s past year of commit activity - zpebop-qc Public
keithgroup/zpebop-qc’s past year of commit activity - mbgdml-h2o-meoh-mecn Public
keithgroup/mbgdml-h2o-meoh-mecn’s past year of commit activity - mbgdml-h2o-meoh-mecn-engrads Public
keithgroup/mbgdml-h2o-meoh-mecn-engrads’s past year of commit activity - solute-solvent-clusters Public
This work provides a database of solute, solvent, and solute-solvent clusters and energies.
keithgroup/solute-solvent-clusters’s past year of commit activity
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