Pinned Repositories
ALF
Adaptive landscape flattening scripts for MSLD
ArgonSim
Verlet's Argon simulation using numpy
Biophysics_435
CpHMD-Analysis
crimm
ml4md-jb
Jupyter book and content for "Machine Learning for Molecular Dynamics" course
MolGpKa
The graph-convolutional neural network for pka prediction
MSLD-Workshop
Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering
pka-calculations
pka calculations using quantum chemistry methods
pyCHARMM-Workshop
This repository contains materials for the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24
stanislc's Repositories
stanislc/ALF
Adaptive landscape flattening scripts for MSLD
stanislc/ArgonSim
Verlet's Argon simulation using numpy
stanislc/Biophysics_435
stanislc/CpHMD-Analysis
stanislc/crimm
stanislc/ml4md-jb
Jupyter book and content for "Machine Learning for Molecular Dynamics" course
stanislc/MolGpKa
The graph-convolutional neural network for pka prediction
stanislc/MSLD-Workshop
Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering
stanislc/pka-calculations
pka calculations using quantum chemistry methods
stanislc/pyCHARMM-Workshop
This repository contains materials for the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24