Success Story: Drug Research and HPC. Moroxite AB & Forcelab AB Access VEGA System

Organisations & Codes Involved:

Moroxite AB & Forcelab AB

Technical/scientific Challenge:

It is thrilling to announce that Moroxite AB (https://moroxite.net/) and Forcelab AB (www.force-lab.eu) have been awarded EuroHPC Joint Undertaking development-type access allocation on the VEGA petascale supercomputer hosted at the Institute for Information Science (IZUM) in Maribor, Slovenia. The application process benefitted from input by dr. Roberto Di Remigio, research software engineer at ENCCS.

Solution:

Moroxite develops targeted drug delivery strategies for breakthrough therapies. Forcelab provides in silico insight into the drug development pipeline. The nearly 2 million core hours awarded will help the companies advance their in silico drug discovery program and accelerate the in vitro and in vivo testing of novel drugs and drug delivery methodologies. The project will use both classical molecular dynamics and quantum/classical simulations.

SUCCESS STORY # HIGHLIGHTS:

Keywords: High-Performance Computing, HPC, Supercomputing, Engineering, Software Optimisation, EuroCC
Industry sector: IT/HPC systems, services & software providers, manufacturing & engineering, natural science
Technology: HPC, HPDA, AI

Contact:

Apostolos Vasileiadis apostolos.vasileiadis@it.uu.se (EuroCC Sweden – National Competence Centre)

This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation program and Germany, Bulgaria, Austria, Croatia, Cyprus, the Czech Republic, Denmark, Estonia, Finland, Greece, Hungary, Ireland, Italy, Lithuania, Latvia, Poland, Portugal, Romania, Slovenia, Spain, Sweden, the United Kingdom, France, the Netherlands, Belgium, Luxembourg, Slovakia, Norway, Switzerland, Turkey, Republic of North Macedonia, Iceland, Montenegro