Pinned Repositories
CrystalFormer
Space Group Informed Transformer for Crystalline Materials Generation
jax
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
matgl
Graph deep learning library for materials
PyXtal
A code to generate atomic structure with symmetry
GASP-python
Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
ml4dftu
Machine Learning for DFT+U
ml4p_project
SplitXDATCAR
Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.
ucas-covid19
ucas疫情防控每日填报助手
zdcao121
Config files for my GitHub profile.
zdcao121's Repositories
zdcao121/ml4dftu
Machine Learning for DFT+U
zdcao121/GASP-python
Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
zdcao121/ml4p_project
zdcao121/SplitXDATCAR
Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.
zdcao121/ucas-covid19
ucas疫情防控每日填报助手
zdcao121/zdcao121
Config files for my GitHub profile.