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Primeur weekly 2020-06-29

Quantum computing

Atos takes the most powerful quantum simulator in the world to the next level with Atos QLM E ...

New model helps to describe defects and errors in quantum computers ...

Research and Markets to issue 2020 Revenue Assessment for Post-Quantum Cryptography (PQC) report ...

Focus on Europe

Iceland joined the LUMI consortium ...

LRZ to deploy HPE's Cray CS500 system to bring innovative architecture to the science of its users ...

Outcome of the e-IRG Webinar Series organized in the framework of the Croatian EU Presidency on 25-26 May 2020: Grand challenges of e-infrastructures within the new ERA ...

Spring 2020 edition of the e-IRG Magazine available ...

MareNostrum will generate a language model in Spanish based on millions of digital contents from the National Library of Spain ...

A team of bioengineering and computing experts outlines how the creation of text mining and Artificial Intelligence tools could advance biomaterials research and development ...

Barcelona Supercomputing Center releases OmpSs-2 version 2020.06 ...

Barcelona Supercomputing Center releases COMPSs version 2.7 ...

Ghent University engages Atos to build third Tier1 VSC supercomputer supporting research in Flanders ...

Dell Technologies high performance computing customers drive breakthroughs for global impact ...

Hardware

NCSA and Southern Methodist University announce new strategic partnership ...

TYAN brings the latest server advancements at its 2020 Server Solutions Online Exhibition ...

WekaIO awarded a patent for Flash Registry with Write Leveling ...

Western Digital's New NVMe SSDs and NVMe-oF solutions provide the foundation for next-generation, agile data infrastructures ...

CW-WDM MSA Group forms to drive new industry standard for optical laser sources ...

Battelle awarded contract to enable Arctic research ...

Applications

Project to calculate emissions reductions across Europe during the COVID-19 pandemic ...

Supercomputer simulations show how DNA prepares itself for repair ...

Georgia Tech engineers simulate solar cell work using supercomputers ...

A new way of designing global satellite missions ...

Process for 'two-faced' nanomaterials may aid energy, information tech ...

New transatlantic lab decodes the brain with AI ...

Ion conducting polymer crucial to improving neuromorphic devices ...

Scientists develop new tool to design better fusion devices ...

C3.ai Digital Transformation Institute announces COVID-19 awards ...

UCF Consortium announces OpenSNAPI project to develop an open, standard application programming interface for smart networking adapters ...

The Cloud

SDSC's Sherlock Cloud announces Skylab ...

Dell Technologies brings IT infrastructure and Cloud capabilities to Edge environments ...

New technique may enable all-optical data-centre networks ...

Schrödinger expands discovery efforts for COVID-19 Alliance with advanced molecular simulation leveraging high-powered parallel computing on Google Cloud ...

Nebulon emerges from stealth and announces Cloud-Defined Storage ...

Repertoire Immune Medicines receives funding from COVID-19 High Performance Computing Consortium ...

W3BCLOUD raises $20,5 million to roll out a network of data centres dedicated for the blockchain economy ...

Schrödinger expands discovery efforts for COVID-19 Alliance with advanced molecular simulation leveraging high-powered parallel computing on Google Cloud


23 Jun 2020 New York - Schrödinger, whose physics-based software platform enables discovery of high-quality, novel molecules for therapeutics and materials, has announced a significant expansion of its work to discover novel antiviral therapeutics for COVID-19 as a part of a philanthropic global initiative. The accelerated pace, including the evaluation of billions of molecules each week, is supported by Google Cloud, which has donated Cloud credits for high-powered parallel computing to enable rapid exploration of chemical space.

Schrödinger is leading the computational design work in an alliance of major biopharma companies collaborating on the COVID-19 initiative, including Takeda, Novartis, Gilead Sciences, and WuXi AppTec. Schrödinger's computational platform models the properties of molecules at the atomic level and identifies those most likely to succeed as therapeutics. To date, Schrödinger has evaluated four different protein targets for the COVID-19 initiative and utilized Google Cloud to support ultra-large virtual screens for two of the targets. The alliance partners will be responsible for acquiring and assaying the most promising compounds and advancing them to lead optimization with Schrödinger's assistance.

Earlier this year, Schrödinger entered into a strategic agreement with Google Cloud that gave Schrödinger access to computing capacity equivalent to the world's most powerful supercomputers to accelerate discovery for its commercial partners and its internal pipeline. The new grant from Google Cloud allows Schrödinger to deploy the same high-speed, parallel computing capability on the COVID-19 project, enabling rapid assessments of critical properties of billions of molecules per week through free-energy calculations and other physics-based applications.

The Google Cloud grant to the COVID-19 initiative amounts to 16 million hours of NVIDIA GPU time, which if used consecutively, would equate to 1826 years of around-the-clock computing. GPU hours can be run in parallel on multiple NVIDIA processors, enabling the exploration of vast swaths of chemical space in a compressed time frame to speed the discovery portion of the R&D work.

"Google Cloud has been a great technology partner to us as we push the limits of computational modelling in our partnered and internal drug discovery programmes to identify high-quality molecules more rapidly and at lower cost than traditional methods", stated Pat Lorton, Schrödinger's Chief Technology Officer. "We're delighted to be able to extend that bold approach to chemical exploration to the COVID-19 project, which is so important to global public health. Discovering high-quality novel molecules in silico requires extensive computing power, and Google Cloud’s GPU credits are crucial to that work."

"We're delighted to be teaming up again with Schrödinger and joining the rest of the COVID-19 alliance on this important project", stated Joe Corkery, Google Cloud's Director of Product Management, Healthcare. "Like all the partners in this alliance, we understand the enormous public health challenge presented by COVID-19, and we’re proud to be contributing our compute power to accelerate the identification of new potential therapeutics in the fight against the virus."

Source: Schrödinger

Back to Table of contents

Primeur weekly 2020-06-29

Quantum computing

Atos takes the most powerful quantum simulator in the world to the next level with Atos QLM E ...

New model helps to describe defects and errors in quantum computers ...

Research and Markets to issue 2020 Revenue Assessment for Post-Quantum Cryptography (PQC) report ...

Focus on Europe

Iceland joined the LUMI consortium ...

LRZ to deploy HPE's Cray CS500 system to bring innovative architecture to the science of its users ...

Outcome of the e-IRG Webinar Series organized in the framework of the Croatian EU Presidency on 25-26 May 2020: Grand challenges of e-infrastructures within the new ERA ...

Spring 2020 edition of the e-IRG Magazine available ...

MareNostrum will generate a language model in Spanish based on millions of digital contents from the National Library of Spain ...

A team of bioengineering and computing experts outlines how the creation of text mining and Artificial Intelligence tools could advance biomaterials research and development ...

Barcelona Supercomputing Center releases OmpSs-2 version 2020.06 ...

Barcelona Supercomputing Center releases COMPSs version 2.7 ...

Ghent University engages Atos to build third Tier1 VSC supercomputer supporting research in Flanders ...

Dell Technologies high performance computing customers drive breakthroughs for global impact ...

Hardware

NCSA and Southern Methodist University announce new strategic partnership ...

TYAN brings the latest server advancements at its 2020 Server Solutions Online Exhibition ...

WekaIO awarded a patent for Flash Registry with Write Leveling ...

Western Digital's New NVMe SSDs and NVMe-oF solutions provide the foundation for next-generation, agile data infrastructures ...

CW-WDM MSA Group forms to drive new industry standard for optical laser sources ...

Battelle awarded contract to enable Arctic research ...

Applications

Project to calculate emissions reductions across Europe during the COVID-19 pandemic ...

Supercomputer simulations show how DNA prepares itself for repair ...

Georgia Tech engineers simulate solar cell work using supercomputers ...

A new way of designing global satellite missions ...

Process for 'two-faced' nanomaterials may aid energy, information tech ...

New transatlantic lab decodes the brain with AI ...

Ion conducting polymer crucial to improving neuromorphic devices ...

Scientists develop new tool to design better fusion devices ...

C3.ai Digital Transformation Institute announces COVID-19 awards ...

UCF Consortium announces OpenSNAPI project to develop an open, standard application programming interface for smart networking adapters ...

The Cloud

SDSC's Sherlock Cloud announces Skylab ...

Dell Technologies brings IT infrastructure and Cloud capabilities to Edge environments ...

New technique may enable all-optical data-centre networks ...

Schrödinger expands discovery efforts for COVID-19 Alliance with advanced molecular simulation leveraging high-powered parallel computing on Google Cloud ...

Nebulon emerges from stealth and announces Cloud-Defined Storage ...

Repertoire Immune Medicines receives funding from COVID-19 High Performance Computing Consortium ...

W3BCLOUD raises $20,5 million to roll out a network of data centres dedicated for the blockchain economy ...