Pinned Repositories
polyhedron_distortion
pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
Dielectric_ML
Supplementary data for: "Modelling the dielectric constants of crystals using machine learning"
kazmorita.github.io
https://kazmorita.github.io
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
SMACT
Python package to aid materials design
systemfiles
tutorials
unlockNN
A Python package for adding uncertainties to neural network models of chemical systems.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
KazMorita's Repositories
KazMorita/polyhedron_distortion
KazMorita/kazmorita.github.io
https://kazmorita.github.io
KazMorita/unlockNN
A Python package for adding uncertainties to neural network models of chemical systems.
KazMorita/tutorials
KazMorita/systemfiles
KazMorita/pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
KazMorita/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
KazMorita/Dielectric_ML
Supplementary data for: "Modelling the dielectric constants of crystals using machine learning"
KazMorita/SMACT
Python package to aid materials design