Pinned Repositories
MSLD-Workshop
Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering
Orientation
Training materials for joining the Hayes group
ALF
Adaptive landscape flattening scripts for MSLD
BLaDE
BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics on graphical processor units.
PublicationScripts
msld-py-prep
msld-py-prep scripts for creating a multiple topology model for Multisite Lambda Dynamics in CHARMM
RyanLeeHayes's Repositories
RyanLeeHayes/BLaDE
BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics on graphical processor units.
RyanLeeHayes/ALF
Adaptive landscape flattening scripts for MSLD
RyanLeeHayes/PublicationScripts