Pinned Repositories
ai2mc-kit
A analysis toolkit for ai2mc soferware
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
CASMcode
First-principles statistical mechanical software for the study of multi-component crystalline solids
chemdataextractor2
ChemDataExtractor Version 2.0
CSAPP_notes
CSAPP 学习笔记
dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
FORTRAN_notes
Notes for learning FORTRAN
lammps_pw
Public development project of the LAMMPS MD software package (API for lammps)
pyIPR
A script to calculate Inverse Participation Ratio (IPR) of Kohn-Sham state
lhycms's Repositories
lhycms/pyIPR
A script to calculate Inverse Participation Ratio (IPR) of Kohn-Sham state
lhycms/ai2mc-kit
A analysis toolkit for ai2mc soferware
lhycms/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
lhycms/CASMcode
First-principles statistical mechanical software for the study of multi-component crystalline solids
lhycms/chemdataextractor2
ChemDataExtractor Version 2.0
lhycms/CSAPP_notes
CSAPP 学习笔记
lhycms/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
lhycms/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
lhycms/FORTRAN_notes
Notes for learning FORTRAN
lhycms/lammps_pw
Public development project of the LAMMPS MD software package (API for lammps)
lhycms/lhycms
lhycms/MaterSDK
Material Software Development Kit (MaterSDK)
lhycms/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
lhycms/MiniEnc
Python package implementing a minimum autoencoder with PyTorch
lhycms/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
lhycms/pwkit
Toolkit for PWmat
lhycms/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.
lhycms/QM
量子力学笔记
lhycms/szaboqc
《现代量子化学》汉化版