sunchong137
When awake: experimentalist with numerical apparatus. When asleep: thinker.
University of TorontoAustin, TX
Pinned Repositories
AI4Sci-MiCaM
This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu, Tao Qin, Jie Wang, Yongdong Zhang, Feng Wu, Tie-Yan Liu. ICLR 2023.
BetheAnsatz
binding-affinity-tool
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER and OpenMM simulation packages.
FiniteT_Lanczos
Lanczos algorithm to evaluate canonical ensemble average
fted
Finite temperature ed solver
FTMPS_fermion
hubbench
libdmet
A periodic DMET library, imported from https://bitbucket.org/zhengbx/libdmet.
pyscf_2017
pyscf with finite temperature exact diagonalization solver
snocisd
Non-orthogonal configuration interaction for molecular systems
sunchong137's Repositories
sunchong137/BetheAnsatz
sunchong137/snocisd
Non-orthogonal configuration interaction for molecular systems
sunchong137/fted
Finite temperature ed solver
sunchong137/FTMPS_fermion
sunchong137/FiniteT_Lanczos
Lanczos algorithm to evaluate canonical ensemble average
sunchong137/libdmet
A periodic DMET library, imported from https://bitbucket.org/zhengbx/libdmet.
sunchong137/pyscf_2017
pyscf with finite temperature exact diagonalization solver
sunchong137/AI4Sci-MiCaM
This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu, Tao Qin, Jie Wang, Yongdong Zhang, Feng Wu, Tie-Yan Liu. ICLR 2023.
sunchong137/binding-affinity-tool
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER and OpenMM simulation packages.
sunchong137/compol
sunchong137/data_for_nocisd_paper
sunchong137/drudge
CAS based on sympy focusing on tensor and noncommutative algebras
sunchong137/hubbench
sunchong137/pyscf_dev
Python module for quantum chemistry
sunchong137/naqs-for-quantum-chemistry
Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
sunchong137/pyscf-forge
pyscf-forge is a staging ground for code that may be suitable for pyscf-core
sunchong137/sunchong137.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes