skblnw
A computational biophysicist who crafts pipelines and analysis codes for molecular dynamics simulations, if not tackling pathogens. #CityUHK #OSU #ZJU #XJTLU
XJTLUShanghai
Pinned Repositories
combo_manual
Latex manual for Combo
CrossReactivity
enspara
Modeling molecular ensembles with scalable data structures and parallel computing
mkanalysis
mk series: some biophysics MD/MC analysis scripts
mkfep
Automatic FEP setup for Gromacs
mkrun
mk series: some biophysics MD build and run scripts
mktools
mk series: some Linux tools
mkvmd_render
How to make images for publication using VMD
torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
skblnw's Repositories
skblnw/mkvmd_render
How to make images for publication using VMD
skblnw/mkrun
mk series: some biophysics MD build and run scripts
skblnw/mkfep
Automatic FEP setup for Gromacs
skblnw/mkanalysis
mk series: some biophysics MD/MC analysis scripts
skblnw/mktools
mk series: some Linux tools
skblnw/torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
skblnw/combo_manual
Latex manual for Combo
skblnw/CrossReactivity
skblnw/enspara
Modeling molecular ensembles with scalable data structures and parallel computing
skblnw/Journal-club
IQB Journal Club at ZJU
skblnw/Kmeans
PCA-EDCG with a geometrical factor
skblnw/pLIC-classifier
An RF classifier for pLICs
skblnw/mdigest