Pinned Repositories
mof-generation-at-scale
Create new MOFs by combining generative AI and simulation on HPC
ghp_mof
cif2lammps
For the conversion of crystal systems (as cifs) to LAMMPS inputs (forked)
cubicgan_modified
Modified from MilesZhao/CubicGAN
JAX-ReaxFF-jax4
mycode
polymaps
RASPA2
Classical molecular simulation code
williamyxl's Repositories
williamyxl/JAX-ReaxFF-jax4
williamyxl/cif2lammps
For the conversion of crystal systems (as cifs) to LAMMPS inputs (forked)
williamyxl/cubicgan_modified
Modified from MilesZhao/CubicGAN
williamyxl/mycode
williamyxl/polymaps
williamyxl/RASPA2
Classical molecular simulation code