Pinned Repositories
gromacs_scripts
Simple scripts for automating some steps of Justin A. Lemkul's tutorial for GMX. Useful mainly for simulations with large series of ligands
OpenEye
Simple scripts for the automation of long series of virtual screenings and databases preparation: Rocs -> Eon and Fliter-> Flipper-> Omega
lbfederico's Repositories
lbfederico/gromacs_scripts
Simple scripts for automating some steps of Justin A. Lemkul's tutorial for GMX. Useful mainly for simulations with large series of ligands
lbfederico/OpenEye
Simple scripts for the automation of long series of virtual screenings and databases preparation: Rocs -> Eon and Fliter-> Flipper-> Omega
lbfederico/vs_ad4_parallel
Script to run AD4 in VS mode