ChemRacer
Postdoctoral Fellow The Edward S. Rogers Sr. Department of Electrical & Computer Engineering, St. George Campus Department of Chemical & Physical Sciences, Mi
Pinned Repositories
ciml-summer-institute-2022
Repository for the CIML 2022 Summer Institute training materials.
DDCC
DDQC_Demo
DDv2RDM
dipeptide_co2
molecular_representation_examples
QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
QCEngineRecords
A collection of input and output files for QCEngine parsers.
twitter_gifs
source code for math gifs posted to twitter
write-docker-actions
ChemRacer's Repositories
ChemRacer/DDQC_Demo
ChemRacer/molecular_representation_examples
ChemRacer/dipeptide_co2
ChemRacer/QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
ChemRacer/QCEngineRecords
A collection of input and output files for QCEngine parsers.
ChemRacer/twitter_gifs
source code for math gifs posted to twitter
ChemRacer/write-docker-actions
ChemRacer/ciml-summer-institute-2022
Repository for the CIML 2022 Summer Institute training materials.
ChemRacer/DDCC
ChemRacer/DDv2RDM
ChemRacer/gudhi-devel
The GUDHI library is a generic open source C++ library, with a Python interface, for Topological Data Analysis (TDA) and Higher Dimensional Geometry Understanding.
ChemRacer/open_metal_detector
ChemRacer/OpenFermion
The electronic structure package for quantum computers.
ChemRacer/PersistentImages_Chemistry
ChemRacer/PotentialEnergies
CHEM 420 final project.
ChemRacer/qforte
ChemRacer/xyz2graph
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.