Pinned Repositories
CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
dftbplus
DFTB+ general package for performing fast atomistic simulations
dpgen
The deep potential generator
Games
Some games created by python code.
matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
pyband
band plot using python matplotlib
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.
vasp_small_script
MarisaYu's Repositories
MarisaYu/dftbplus
DFTB+ general package for performing fast atomistic simulations
MarisaYu/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
MarisaYu/dpgen
The deep potential generator
MarisaYu/Games
Some games created by python code.
MarisaYu/matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
MarisaYu/pyband
band plot using python matplotlib
MarisaYu/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.
MarisaYu/vasp_small_script