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LIGATE

Financiado

LIgand Generator and portable drug discovery platform AT Exascale

Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system. The implementation of machine learning, extreme scale computer simulations, and big data analytics in the drug... ver más

30/04/2024

DOMPE FARMACEUTICI...

6M€

Presupuesto del proyecto: 6M€

Líder del proyecto

DOMPE FARMACEUTICI SPA No se ha especificado una descripción o un objeto social para esta compañía.

TRL 4-5

Ver 13 Participantes

Financiación concedida El organismo H2020 notifico la concesión del proyecto el día 2024-04-30

Línea de financiación objetivo El proyecto se financió a través de la siguiente ayuda:

EuroHPC-03-2019: Industrial software codes for extreme scale computing environments and applications

I+D

Cerrada hace 4 años

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13 Participantes

DOMPE FARMACEUTICI SPA

366.63K€ | Lider

HEIMDAL SEGURIDAD,

183.85K€ | Participante

POLIMI

358.13K€ | Participante

GR3N

156.63K€ | Participante

Últimas noticias

29-11-2024: IDAE En las últimas 48 horas el Organismo IDAE ha otorgado 4 concesiones

29-11-2024: ECE En las últimas 48 horas el Organismo ECE ha otorgado 2 concesiones

29-11-2024: CMVAMADRID En las últimas 48 horas el Organismo CMVAMADRID ha otorgado 37 concesiones

Duración del proyecto: 40 meses Fecha Inicio: 2020-12-16
Fecha Fin: 2024-04-30

Líder del proyecto

DOMPE FARMACEUTICI SPA

TRL 4-5

Presupuesto del proyecto 6M€

Descripción del proyecto Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system. The implementation of machine learning, extreme scale computer simulations, and big data analytics in the drug design and development process offer an excellent opportunity to lower the risk of investment and reduce the time to patient. In LIGATE, we aim to integrate and co-design best in class European open-source components together with proprietary (European) IPs (whose development has already been co-funded by previous H2020 projects) to keep worldwide leadership on Computer-Aided Drug Design (CADD) solutions exploiting today high-end supercomputer and tomorrow Exascale resources, fostering the European competitiveness in this field. The proposed LIGATE solution, in a fully integrated workflow, enables to deliver the result of a drug design campaign with the highest speed along with the highest accuracy; further implementing the auto-tuning the parameters of the solutions to meet the time and resource constraints. This predictability, together with the fully automation of the solution and the availability of the Exascale system, will let run the full in silico drug discovery campaign in less than one day to respond promptly for example to worldwide pandemic crisis. Since the evolution of HPC architectures is heading toward specialization and extreme heterogeneity, including future Exascale architectures, the LIGATE solution focuses also on code portability with the possibility to deploy the CADD platform on any available type of architecture in order not to have a legacy in the hardware. The project plans to make the platform available and open to support the discovery a novel treatment to fight virus infections and multidrug-resistant bacteria. The project will also make available to the research community the outcome of a final simulation.

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