VSM-G3 : Virtual Screening Manager for running Gold on the Grid under Galaxy environment.
The VSM-G3 project benefited in 2021-2023 of an INRIA ADT (Action de Développement Technologique). Engineer Oliver Demengeon has been the linchpin of this project, which now allows researchers to focus their efforts on expert analysis and interpretation of docking results.
GOLD is the ligand docking program developped and distributed by Cambridge Crystallographic Data Centre.
The Grid is composed of a set of MBI-DS4H machines on which the GOLD licence was installed .
Galaxy is a generic web platform for running programs and building workflows in a FAIR environment. It provides a user-friendly interface and facilities for job management. At the back-end, it allows to interface any encapsulated program and to manage job executions.
See VSM-G3 report, december 2023.
