john-zzh Goto Github PK
Name: Zehao Zhou
Type: User
Company: Changping Laboratory
Bio: PhD from CWRU
Location: Beijing
Zehao Zhou's Projects
ddpm_flax
ddpm with flax implementation
fssh
Tully's fewest switches surface hopping
hf-tutorial
improved-davidson-algorithm
A demonstration code to show semi-empirical preconditioning Davidson Algorithm
libcint
general GTO integrals for quantum chemistry
neuralplexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
pymol-save-gro
Save gro files from within PyMOL
pyscf
Python module for quantum chemistry
pyscf_tddft_ris
TDDFT-ris for PySCF
ris-precond-davidson
davidson method with various preconditioners
tddft-ris
A plugin for Turbomole input file to invoke the TDDFT-ris method
tddft_davidson
a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF
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