Pinned Repositories
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.
GoodVibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Crystal_structures
A collection of crystal structures from first-principles simulations
GreaterCommonGood
A personal collection of scripts and programs for public usage
mat2vec
Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).
MDStudio_gromacs
MDStudio interface to gromacs
pyplotter
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
xinglong-zhang.github.io
xinglong-zhang's Repositories
xinglong-zhang/Crystal_structures
A collection of crystal structures from first-principles simulations
xinglong-zhang/GreaterCommonGood
A personal collection of scripts and programs for public usage
xinglong-zhang/mat2vec
Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).
xinglong-zhang/MDStudio_gromacs
MDStudio interface to gromacs
xinglong-zhang/pyplotter
xinglong-zhang/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
xinglong-zhang/xinglong-zhang.github.io