Billion Molecules against Covid-19

JEDI GRANDCHALLENGE

 

Stage 1 (closed!)

Deadline was on FRIDAY 17 JULY 18:00 CENTRAL EUROPEAN TIME

Registration

Sign up your team or yourself (at any time before the deadline). This will give you access to the exclusive compound libraries.

Exchange platform

Participating teams, looking to form a new team, or offering your skills... join our Discord

Resources

Exclusive compound libraries, how to apply for computing resources, links to the best protein targets.

Blog

Stay up-to-date! Press, FAQ, updates, and instruction videos are posted here.

 

The big problem to solve

It is critical to rapidly identify molecules/peptides/proteins that can block the development and/or spreading of the 2019 Novel Coronavirus (SARS-CoV-2) and stop Covid-19 related disease. Computational methods (in silico) can quickly screen interactions of existing compounds with Covid-19 targets[1], but novel methods[2] are needed to get high success rates in the (pre-)clinical phases. In addition, experimental validation of lead compounds is needed to benchmark the in silico hits.


[1] https://doi.org/10.26434/chemrxiv.11829102.v2 ; https://doi.org/10.1002/minf.202000028 ; https://doi.org/10.1038/s41421-020-0153-3

[2] https://doi.org/10.1038/s41586-020-2117-z ; https://doi.org/10.1016/j.cell.2020.01.021

 

The GrandChallenge

Screen billion possible molecular compounds that can block SARS-CoV-2 

Improve (in silico or others) methods to identify compounds with blocking interactions relevant to any SARS-CoV-2 target, by optimizing/accelerating the use of HPC (High Performance Computing), Artificial Intelligence, and provide experimental validation.


The GrandChallenge will proceed in three stages, where stage 1 and 2 are sequential and stage 3 is independent. Teams can participate in only one or in multiple stages. The aim is to get high-quality lead compounds for multiple SARS-CoV-2 targets by cross-checking multiple simulation approaches. The top-scoring compounds will be analyzed experimentally using direct affinity assays, as well as viral assays on live SARS-CoV-2. A special prize will be awarded for reduction of the yield of infectious virus by > 2-log in cell culture using novel cocktails of already FDA-approved drugs/compounds at sub-micromolar concentrations, and proven effectiveness in an animal model at physiologically relevant doses. All findings will be quickly and publicly shared with the world to battle Covid-19. This challenge is open to any team in the world, requiring breakthrough approaches in computational method and rapid experimental screening. Collaboration of teams in computation, drug development, virology, and clinical models will be necessary.


The uniqueness of this JEDI GrandChallenge is to push for (i) modelling a number of active molecules at a scale never seen before (ii) the determination of a highly accurate list of active compounds cross-correlated by the teams all over the world, (iii) ultra fast-track in-vitro identification of molecules with 2-log reduction in viral activity and (iv) identifying the best drug-cocktail out of existing FDA-approved molecules.

 

THE PROCESS

How to participate to the Covid-19 GRANDCHALLENGE ?

 

Start date: May 4 2020

Stage 1

ULTIMATE LIST OF LEAD COMPOUNDS BY SCREENING A BILLION MOLECULES AGAINST SARS-CoV-2 |  

Start date: ~4 weeks after completion of stage 1

Stage 2

IDENTIFY COMPOUNDS THAT LEAD TO 99% VIRAL SUPPRESSION | DURATION: 33 DAYS 

Start according to results of previous stages

Stage 3

SPECIAL PRIZE  - FIND AN IMMEDIATELY USABLE DRUG COCKTAIL  | 80 DAYS 

Our Scientific Committee

 
GregBowmanLabMeeting2_edited.jpg

Prof. Gregory Bowman

Director Folding@home and Associate Professor at Washington University in St. Louis.

Prof. Charles L. Brooks III

Research Group Leader, Department of Chemistry and Biophysics Program, University of Michigan

1-prof-charles-l-brooks-iii-university-o
14-prof-john-chodera-memorial-sloan-kett

Prof. John Chodera

Research Group Leader at the Memorial Sloan-Kettering Cancer Center, Member of the project for simulating protein dynamics Folding@home

Prof. Babak Falsafi

Computer architecture, founder and director of the consortium EcoCloud,  Professor in Computer Sciences, Ecole Polytechnique Fédérale de Lausanne (EPFL)

2-prof-babak-falsafi-epfl-computer-archi
3-prof-bryan-ford-epfl-large-scale-colle

Prof. Bryan Ford

Associate Professor and Head of the Decentralized and Distributed Lab of the Ecole Polytechnique Fédérale de Lausanne (EPFL)

Prof. Adolfo Garcia-Sastre

Director of the Global Health and Emerging Pathogens Institute, Mount Sinai

13-prof-adolfo-garcia-sastre-director-of
15-marion-guillou1_ISPBy5XR.jpg

Dr. Marion Guillou

Former Chief Executive Officer (CEO) of the Institut National de la Recherche Agronomique (INRA) and former chairwoman of Ecole Polytechnique

Günter Klambauer

LIT AI Lab & Institute for Machine Learning, Johannes Kepler University Linz

4-prof-gunter-klambauer-johannes-kepler-
koopmans.jpg

Prof. Marion Koopmans

Member of the advisory panel on COVID-19 of the European Commission, Director of a WHO collaborating center, and Head of the department of Viroscience, Erasmus Medical Center

Prof. Sang-Yup Lee

Director of the Bioinformatics Research Center, Korean Advanced Institute for Science and Technology

5-prof-sang-yup-lee-korean-advanced-inst
16-nadia-naffakh1_cQ7J9M71.jpg

Dr. Nadia Naffakh

Head of the RNA Biology of Influenza Viruses Unit, Institut Pasteur-CNRS

Sir Peter Ratcliffe

Director of Clinical Research at the Francis Crick Institute and Nobel Laureate 2019 in Physiology or Medicine

7-sir-peter-ratcliffe-francis-crick-inst
8-dr-stephane-requena-technological-dire

Dr. Stephane Requena

Innovation and Technology Director, French HPC network GENCI

Prof. Bernhard Schoelkopf

Head of Department Empirical Inference
Max Planck Institute for Intelligent Systems

9-prof-bernhard-schoelkopf-head-of-depar
10-prof-fabian-theis-helmholtz-munich-ma

Prof. Fabian Theis

Head of the Institute of Computational Biology and Research Group Leader, Helmholtz Zentrum Munich

Prof. Alexandre Varnek

Head of the Laboratory of Cheminformatics, University of Strasbourg

11prof-alexandre-varnek-head-of-laborato
12-dr-daniel-verwaerde-ceo-of-teratec-fo

Dr. Daniel Verwaerde

Current CEO of Teratec and former CEO of the Commissariat à l’Energie Atomique et aux énergies alternatives (CEA)

The Joint European Disruptive Initiative (JEDI) is the initiative for disruptive innovation to bring Europe in a leadership position in breakthrough technologies. It is powered by 3.700 leaders of Europe’s deeptech ecosystem in 23 countries. JEDI is launching Tech GrandChallenges to push the frontiers of innovation, with a radical method based on excellence, no geographical return, speed, highest expectations & bold risk-taking. Driven by humanistic values, a purpose-driven approach to solve major societal issues in environment/healthcare/digital/space through innovation. For this Covid-19 Challenge we are operating on a worldwide level, not just Europe. Follow twitter @eurojedi

 
ThomasHERMANS_ISIS2019_C(b&w).JPG

Program Manager

Prof. Thomas M. Hermans

Thomas Hermans is professor in Chemistry at the University of Strasbourg and group leader of the Laboratory of Nonequilibrium Complex Systems (www.hermanslab.com). 

He received the ERC Starting Grant 2017, Thieme Chemistry Award 2018, Prix Guy Ourisson 2018, and is a Young Scientist at World Economic Forum and the World Laureates Association.

 

Global Partners

(more to be announced)

AXA research fund1.png
merck_logo_rpurple_rgb.jpg
4-Folding Home1.png
 

To receive our regular briefings

 

© 2020 Joint European Disruptive Initiative