takafumi-shiraogawa

Researcher in theoretical chemistry

Institute for Molecular ScienceJapan

Pinned Repositories

APDFT
Redundantly modified APDFT code
Language:Jupyter Notebook0 1 110
AQA
Modified Supplementary_code_for_Quantum_Alchemy.
Language:Jupyter Notebook0 0 110
Hornussen
Implementation of inverse molecular design that explores chemical space to find functional molecules in equilibrium geometries
Language:Python2 1 00
pyscf
Python module for quantum chemistry
Language:Python0 0 00
qml
QML: Quantum Machine Learning
Language:Python0 0 00
SimpleQC
Simple code for quantum chemistry
Language:Python4 2 120
toy_mol_opt
A toy code of geometry optimization
Language:Python1 1 30

takafumi-shiraogawa's Repositories

takafumi-shiraogawa/SimpleQC
Simple code for quantum chemistry
Language:Python4 2 120
takafumi-shiraogawa/Hornussen
Implementation of inverse molecular design that explores chemical space to find functional molecules in equilibrium geometries
Language:Python2 1 00
takafumi-shiraogawa/toy_mol_opt
A toy code of geometry optimization
Language:Python1 1 30
takafumi-shiraogawa/APDFT
Redundantly modified APDFT code
Language:Jupyter Notebook0 1 110
takafumi-shiraogawa/AQA
Modified Supplementary_code_for_Quantum_Alchemy.
Language:Jupyter Notebook0 0 110
takafumi-shiraogawa/pyscf
Python module for quantum chemistry
Language:Python0 0 00
takafumi-shiraogawa/qml
QML: Quantum Machine Learning
Language:Python0 0 00