Pinned Repositories
docs
Documentation for the LBQC cluster
moltiverse
Molecular conformer generation using enhanced sampling methods
polypharm
A Python-based library to perform IFD and MM/GBSA calculations on different targets using a polypharmacological approach.
LBQC's Repositories
ucm-lbqc/polypharm
A Python-based library to perform IFD and MM/GBSA calculations on different targets using a polypharmacological approach.
ucm-lbqc/moltiverse
Molecular conformer generation using enhanced sampling methods
ucm-lbqc/docs
Documentation for the LBQC cluster