Sony Pixel Power calrec Sony

Qubit Pharmaceuticals Accelerates Drug Discovery With Hybrid Quantum Computing

30/11/2022

The promise of quantum computing is to solve unsolvable problems. And companies are already making headway with hybrid approaches - those that combine classical and quantum computing - to tackle challenges like drug discovery for incurable diseases.

By accelerating drug molecule simulation and modeling with hybrid quantum computing, startup Qubit Pharmaceuticals is significantly reducing the time and investment needed to identify promising treatments in oncology, inflammatory diseases and antivirals.

Qubit is building a drug discovery platform using the NVIDIA QODA programming model for hybrid quantum-classical computers and the startup's Atlas software suite. Atlas creates detailed simulations of physical molecules, accelerating calculations by a factor of 100,000 compared to traditional research methods.

Founded in 2020, the Paris and Boston-based company is a member of NVIDIA Inception, a program that offers go-to-market support, expertise and technology for cutting-edge startups.

Qubit has one of France's largest GPU supercomputers for drug discovery, powered by NVIDIA DGX systems. The startup aims for pharmaceutical companies to begin testing their first drug candidates discovered through its GPU-accelerated research next year.

By combining NVIDIA's computational power and leading-edge software with Qubit's simulation and molecular modeling capabilities, we are confident in our ability to dramatically reduce drug discovery time and cut its cost by a factor of 10, said Robert Marino, president of Qubit Pharmaceuticals. This unique collaboration should enable us to develop the first quantum physics algorithms applied to drug discovery.

Tapping Unprecedented Computational Capabilities Computational drug discovery involves generating high-resolution simulations of potential drug molecules and predicting how well those molecules might bind to a target protein in the body.

For accurate results, researchers need to perform massive sampling, simulating hundreds of different conformations - possible spatial arrangements of a molecule's atoms. They must also correctly model molecules' force fields, the electric charges that predict affinity, or how a molecule will bind to another.

This simulation and modeling requires high performance computing, so Qubit selected an in-house supercomputer built with NVIDIA DGX systems and other NVIDIA-accelerated servers, totaling 200 NVIDIA Tensor Core GPUs. The supercomputer runs Qubit's Atlas software, performing in just a few hours calculations that would take several years with conventional methods.

Atlas models quantum physics at the microscopic level to achieve maximum accuracy. The Qubit team is adopting NVIDIA QODA to explore the hybrid use of GPU-accelerated supercomputers and quantum computers, where QPUs, or quantum processing units, could one day speed up key software kernels for molecular modeling.

Using the NVIDIA cuQuantum SDK, Qubit's developers can simulate quantum circuits, allowing the team to design algorithms ready to run on future quantum computers.

AI for Every Stage of Drug Discovery Qubit estimates that while conventional research methods require pharmaceutical developers to start by synthesizing an average of 5,000 drug compounds before preclinical testing to bring a single drug to market, a simulation-based drug discovery approach could reduce the figure to about 200 - saving hundreds of millions of dollars and years of development time.

The company's Atlas software includes AI algorithms for every stage of the drug discovery cycle. To support target characterization, where researchers analyze a protein that plays a role in disease, Atlas supports molecular dynamics simulations at microsecond timescales - helping scientists identify new pockets for drug molecules to bind with the protein.

During drug candidate screening and validation, researchers can use AI models that help narrow the field of potential molecules and generate novel compounds. Qubit is also developing additional filters that predict a candidate molecule's druggability, safety and cross-reactivity.

Learn more about Qubit's HPC and quantum-accelerated molecular dynamics software from company co-founders Jean-Philip Piquemal and Louis Lagard re through NVIDIA On-Demand.

Main image courtesy of Qubit Pharmaceuticals.
LINK: https://blogs.nvidia.com/blog/2022/11/30/qubit-pharmaceuticals-acceler...
See more stories from nvidia

Most recent headlines

15/02/2025

Nielsen's Business Resource Groups celebrate inclusion with BRinG It! Campaign

At Nielsen, Business Resource Groups (BRGs) play a critical role in nurturing a ...

15/02/2025

Innovation to empower creativity: Explore the latest in Lightroom

Innovation to empower creativity: Explore the latest in Lightroom Rob Christensen February 15, 2025 0 Comments Whether you want to remove distracting ...

15/02/2025

Wisycom Expands Into Argentina and Uruguay With EQUAPHON

Wisycom, a worldwide leader in RF technology and provider of wireless solutions, announces a new distribution agreement with EQUAPHON. An Argentinian profession...

15/02/2025

DPA Microphones Adds to Sales and Marketing Teams

DPA Microphones, the leading manufacturer of high-quality microphone solutions, is pleased to welcome Nicholas Nick Mariano and Vincent Vince Divine to the ...

15/02/2025

Tuxera brings media-optimized SMB technology to NAB Show...

Tuxera, a leading provider of quality-assured file systems and networking solutions, will showcase how Tuxera Fusion SMB enables unprecedented performance for m...

15/02/2025

Bitmovin Report Ad Insertion Tops Streaming Challenges a...

Bitmovin's latest Video Developer Report indicates an increasing role of AI, the slow adoption of next-generation codecs, and continuing challenges when it ...

15/02/2025

Oberc Lights Michelin-Star Hotel Guide Promo with DoPchoi...

When Michelin Enterprises set out to promote its prestigious Hotel Guide in the new Sleepless in the Kitchen , campaign, veteran German/Slovenian gaffer Robert...

15/02/2025

Formula E Supercharges Fan Experience with AI-Driven High...

Formula E, the world's first all-electric racing series, revolutionizing motorsport with cutting-edge technology and a commitment to sustainability has sele...

15/02/2025

Agile Content is Now AgileTV

Agile Content, a global leader in TV and video technology solutions, announces its rebranding to AgileTV. The transition to AgileTV stems from a commitment to ...

15/02/2025

Hiltron to Promote Latest-Generation Satellite Communicat...

Hiltron Communications will promote the latest additions to its range of satellite communication products, systems and supporting services at GovSatCom 2025. Th...

15/02/2025

DoPchoice Debuts Airglow Float - Inflatable Round Topligh...

Following the success of the original Airglow Booklight, DoPchoice debuts a new addition to their inflatable line the Float. This lightweight, inflatable, round...

15/02/2025

Marshall to Debut RCP Plus Controller at 2025 NAB Show

LAS VEGAS Marshall Electronics has announced that it will debut its newest camera controller, the RCP Plus, at the 2025 NAB Show at Booth N2649 between April 5 ...

15/02/2025

Gray Media Names Blake Sebo GM of Stations in Anchorage, Alaska

ATLANTA Gray Media has named Blake Sebo as the next general manager of KTUU and KYES, Gray's NBC and CBS affiliates in Anchorage, Alaska....

15/02/2025

DPA Microphones To Introduce CORE+ Technology at NAB Show

KOKKEDAL, Denmark DPA Microphones will feature its new CORE+ technology for distortion-free microphone sound at the 2025 NAB Show, April 5-9, in Las Vegas....

15/02/2025

QuickLink To Unveil StudioPro-NDI, StudioPro-3 at 2025 NAB Show

SWANSEA, U.K. QuickLink will launch StudioPro-NDI and StudioPro-3, two new models of its QuickLine StudioPro video production platform, at the 2025 NAB Show, Ap...

15/02/2025

Live From 2025 NBA All-Star Game Weekend: After 25 Years, Turner Sports All-In For Final Production

Live From 2025 NBA All-Star Game Weekend: After 25 Years, Turner Sports All-In F...

15/02/2025

NASCAR Driver Cam on Max Embraces Cloud-Based Workflow for 2025 Season

NASCAR Driver Cam on Max Embraces Cloud-Based Workflow for 2025 Season Chris Brown of WBD Sports says Mobii will play key part in delivering signals from the tr...

14/02/2025

Spotify's Partner Program Helps Creators Increase Revenue and Consumption of Video Podcasts

Last month, we officially launched the Spotify Partner Program, a powerful new m...

14/02/2025

Four Ways L3Harris Targeting and Sensor Systems are Defining the Future of Land Missions

The future of electro-optical/infrared (EO/IR) land systems is evolving so that ...

14/02/2025

ISE 2025: 5 Reasons to Join Calrec at ISE

Here are 5 reasons why you should attend ISE 2025 Discover more about Calrec: Learn more about Calrec's legacy of innovation in broadcast audio solutions ...

14/02/2025

World Radio Day: On the same wavelength

World Radio Day: On the same wavelength By Graham Murray, International Sales Manager at Calrec To mark World Radio Day, Calrec's International Sales Ma...

14/02/2025

Tegna Inks Deal for Dallas Wings Broadcasts

DALLAS and TYSONS, Va. Tegna has concluded a broadcast rights agreement that makes Tegna's KFAA in Dallas the exclusive local television partner of the Dall...

14/02/2025

Prime Video Makes Significant Upgrades to Its Apple TV App

Amazon's Prime Video has released a new app for Apple TV that the streamer said delivers an improved streaming experiences with faster scrolling, improved s...

14/02/2025

Telos Alliance To Showcase Quasar V3.2 AoIP Software at NAB Show

CLEVELAND Telos Alliance announced a software update for its Axia Quasar XR and SR line of audio-over-IP (AoIP) mixing consoles and will show the offering at th...

14/02/2025

Puget Systems Returns to HPA Tech Retreat 2025 with New Analysis Tools for Puget Bench for Creators

Puget Systems Returns to HPA Tech Retreat 2025 with New Analysis Tools for Puge...

14/02/2025

Glass Animals: Tour of Earth Uses Blackmagic Live Production Workflow

Glass Animals: Tour of Earth Uses Blackmagic Live Production Workflow Brie Clayton February 14, 2025 0 Comments 80six deploys Blackmagic URSA Broadcas...

14/02/2025

Paramount, Youtube TV Avoid Channel Blackout, Will Continue Negotiations

A dispute between Paramount and Youtube TV that would have pulled CBS stations and Paramount's cable channels from the streaming service has been temporaril...

14/02/2025

Stop-motion triumph

Colourist Deidre (Dee) McClelland details how she helped shape the distinct look and feel of whimsical Oscar-nominated stop-motion film, Memoir of a Snail By C...

14/02/2025

BitFire appoints Jim Akimchuk as CEO

BitFire said it intends to introduce forward-looking services that simplify the launch of live production workflows, and enhance real-time collaboration By Jen...

14/02/2025

Arena TV liquidators dismiss banks' defence as unsustainable'

The claim by the liquidators is the latest twist in the ongoing saga of the companys collapse at the end of 2021 By Matthew Corrigan Published: February 14, ...

14/02/2025

YouTube TV Likely To Drop Paramount Channels Today

A carriage dispute between YouTube TV and Paramount could come to a head today (Feb. 13), with the virtual pay TV provider threatening to pull all of the progra...

14/02/2025

LG Opens Its First Virtual Production Studio

ENGLEWOOD CLIFFS, N.J. LG Electronics USA has opened a new in-house, state-of-the-art virtual production studio at its 360,000-square-foot North American headqu...

14/02/2025

CIMM, TVB Release Local TV and Video Innovation Showcase

NEW YORK In a bid to help local broadcasters find new ways of monetizing their content, the Coalition for Innovative Media Measurement (CIMM) and TVB have relea...

14/02/2025

U.S. Senators Blast Weaponization of FCC' Against Broadcasters

WASHINGTON Three Democratic U.S. Senators have sent a stern letter blasting FCC Chair Brendan Carr for the weaponization of the agency for attacking broadcast...

14/02/2025

The Apple TV App Comes to Android

Years after launching the streaming service Apple TV+ in November of 2019, Apple has finally released a version of its steaming app for Android devices....

14/02/2025

Red Adds Nikon Z Mount To V-RAPTOR [X], KOMODO-X Camera Systems

FOOTHILL RANCH, Calif. Red Digital Cinema will make its V-RAPTOR [X] and KOMODO-X camera systems available with Nikon's premier Z Mount, providing filmmaker...

14/02/2025

Fox Sports Revs Up for Daytona 500 With New NASCAR Deal, Some New Tech

DAYTONA, Fla. The Fox Sports production of this year's Daytona 500 will see the addition of a few new tech elements and the continued unfolding of the broad...

14/02/2025

Watch Bryson Battles Blind Audition on The Voice Get a Four-Chair Turn

Watch Bryson Battles Blind Audition on The Voice Get a Four-Chair Turn Michael Bubl said the Boston Conservatory at Berklee musical theater senior might have...

14/02/2025

2025 Daytona 500: FOX Sports Looks To Ride Super Bowl LIX Momentum Into NASCAR Season

2025 Daytona 500: FOX Sports Looks To Ride Super Bowl LIX Momentum Into NASCAR S...

14/02/2025

VEON's Kyivstar and the Come Back Alive Foundation Raise USD 2.6 Million for Demining in Ukraine

14 Feb 2025 VEON's Kyivstar and the Come Back Alive Foundation Raise USD 2....

14/02/2025

Max Renews THE PITT, Starring Noah Wyle, For A Second Season

Max Renews THE PITT, Starring Noah Wyle, For A Second Season Max Warner Bros. Television Group The Pitt New Episodes Of The Medical Drama From John...

14/02/2025

110 Years of Love in Every Frame: A Technicolor Celebration of Romance

This year, Technicolor proudly celebrates 110 years of shaping the magic of cinema pioneering color, visual effects, and innovation that bring unforgettable l...

14/02/2025

NBA All-Star: More Games, More Teams, More Music, More Sound From the Court

NBA All-Star: More Games, More Teams, More Music, More Sound From the Court Turner Sports' team will deploy familiar tech to capture all the audio By Dan D...

14/02/2025

LIV Golf Continues To Innovate With Drones, Data-Driven Graphics, and All-Access Features in Year 4

LIV Golf Continues To Innovate With Drones, Data-Driven Graphics, and All-Access...

14/02/2025

Stay Tuned to SVG for Live Coverage From NBA All-Star 2025 in San Francisco This Weekend

Stay Tuned to SVG for Live Coverage From NBA All-Star 2025 in San Francisco This...

14/02/2025

ESPN's College GameDay Pulls Double Duty With Back-to-Back Shows at Auburn on Saturday, South Carolina on Sunday

ESPN's College GameDay Pulls Double Duty With Back-to-Back Shows at Auburn o...

14/02/2025

Bringing a year's worth of stories to life for Sunbelt Rentals

At ICG, we love helping brands tell their stories in meaningful and impactful ways. Towards the end of 2024 we worked with long-standing client Sunbelt Rental...