kvkarandashev

Computational Chemist, Machine Learning and Monte Carlo method connoisseur.

UniVieVienna

Pinned Repositories

qml
QML: Quantum Machine Learning
Language:Python01
qmllib
QML core fortran functions
Language:Fortran00
tblite
Light-weight tight-binding framework
Language:Fortran00
QCFractal
A distributed compute and database platform for quantum chemistry.
Language:Python14348
tblite
Light-weight tight-binding framework
Language:Fortran8133
mosaics
Evolutionary Monte Carlo algorithm for optimization in chemical space.
Language:Python121
qmllib
Quantum machine learning (QML) Core Fortran Functions
Language:Fortran61
Graph2Structure
Language:Python10
slurm_tools
tools for SLURM
Language:Shell01

kvkarandashev's Repositories

kvkarandashev/qml
QML: Quantum Machine Learning
1
kvkarandashev/qmllib
QML core fortran functions
Language:Fortran
kvkarandashev/tblite
Light-weight tight-binding framework
Language:Fortran