
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.
North America Stories
03/02/2023
Disney's Pinocchio Used Ultimatte 12 and HyperDeck Studio 4K Pro for Virtual...
03/02/2023
Devotion Cinematography, with Erik Messerschmidt, ASC
Brie Clayton February 3, 2023
0 Comments
DEVOTION director of photography Erik Messerschmidt, ASC...
03/02/2023
Natasha Braier, ASC CDF: Lighting She Said car scenes with LED screens at Carsta...
03/02/2023
DirecTV said it named Drew Groner as senior VP, head of agency and client partnerships....
03/02/2023
Rural Media Group, owner of The Cowboy Channel, is adding The Cowgirl Channel to its stable...
03/02/2023
LoopMe said it hired Lisa Coffey as global chief revenue officer....
03/02/2023
Fox has ordered season three of drama The Cleaning Lady. Jeannine Renshaw has joined the show, about a surgeon who finds an entirely new line of work after land...
03/02/2023
The blackout of CBS affiliates on FuboTV reflects the increasing tension between networks and their affiliates as TV pivots to streaming....
03/02/2023
Boxer Laila Ali, daughter of Muhammad Ali, is hosting a branded content series created by A+E Networks for Ancestry that is airing on History Channel....
03/02/2023
The National Association of Broadcasters is suggesting the FCC is putting the 2018 quadrennial review cart before the 2022 quadrennial horse, asking the agency ...
03/02/2023
Atmosphere, which streams TV content to restaurants, bars and other businesses, said it signed a deal to stream content from TMB to its customers, effective imm...
03/02/2023
Drama Pennyworth: The Origin of Batman's Butler will not see season four on HBO Max. The show launched on Epix and moved to HBO Max for season three, which ...
03/02/2023
STOCKHOLM Accedo has added Vizio to the stack of supported platforms for its cloud-based SaaS video platform, Accedo One. The first customer deployed on Vizio...
03/02/2023
CAMBRIDGE, Mass. Despite worries about the global economic outlook for 2023, Forrester's Global Tech Market Forecast, 2022 To 2027, is predicting that the g...
03/02/2023
OTTAWA, Canada Media file transfer provider MASV has announced a new integration with Seagate Lyve Cloud, an object storage solution for mass data....
03/02/2023
The Academy Software Foundation Announces Open Source Forum 2023
Brie Clayton February 2, 2023
0 Comments
The Academy Software Foundation (ASWF) will h...
03/02/2023
Sony Electronics Announces Two 4K IP-Based Pan-Tilt-Zoom Cameras Featuring PTZ A...
03/02/2023
Steve Yedlin, ASC, lenses Glass Onion: A Knives Out Story with ZEISS Supreme Pri...
03/02/2023
Who better to inspire wellness in area elementary school children than Wool E. Bull? The iconic Durham Bulls mascot wants to come to your school to share a FRE...
03/02/2023
High-gain distortion is great for lead guitar sustain and tone, but it also brings up that splat of pick noise at the note's beginning. Sometimes, you wan...
03/02/2023
The Sundance Film Festival, which took place January 19-29 in person and online,...
03/02/2023
Intinor, Sweden's leading developer of products and solutions for high quali...
02/02/2023
Vaddio s IntelliSHOT-M Wins Best of Show at ISE 2023
Posted on 2/2/2023 12:00:00 AM by Vaddio Team
Vaddio's IntelliSHOT-M wins Best of Show at ISE 2023...
02/02/2023
A poster for a missing young Native woman hangs in a Montana town, in this still from Murder in Big Horn. (Photo by Jeff Hutchens/Courtesy of Showtime and the...
02/02/2023
An emergency radio solution introduced by L3Harris in 2021 has achieved a key industry standard, underscoring its ability to perform at the highest level under ...
02/02/2023
Highlights:
Earned high marks for innovation, social responsibility and financial soundness
Has received FORTUNE recognition every year since company's f...
02/02/2023
There's nothing quite like wrapping one's hands around the steering whee...
02/02/2023
The time has come! The 2023 GoPro Mountain Games event registration is now LIVE. Sign up today to be a part of one of the country's largest celebrations of ...
02/02/2023
Firmware update v2.10 is now available for HERO11 Black Mini. This update brings Pro 3.5mm Mic Adapter support to our most durable action camera to date along w...
02/02/2023
AUCKLAND, N.Z. Lawo and system integrator Professional Audio & Television (PAT) have announced that they supplied and deployed a Lawo mc 56 48 fader production ...
02/02/2023
LONDON Friend MTS has appointed Shane McCarthy as chief executive officer (CEO) with the goal of driving growth across all markets and growing its list of custo...
02/02/2023
Up until last week, all of the major parties involved in the transition from ATSC 1.0 to 3.0 appeared to be on the same page. Advocates touted the continuing pr...
02/02/2023
LAS VEGAS This year's edition of CES was vastly different from a quarter-century ago. Back then, televisions were just breaking free from low-resolution cat...
02/02/2023
DENVER EchoStar Corporation has announced an agreement with Astro Digital, a designer, manufacturer and operator of small satellite systems, for the constructio...
02/02/2023
VITEC's openGear-first 4K/multichannel HD encoder
Brie Clayton February 2, 2023
0 Comments
VITEC's Diamond+ OG card, which made its EMEA debut ...
02/02/2023
InSync marks major milestone with gold standard attention to detail
Brie Clayton February 2, 2023
0 Comments
20th anniversary sees unprecedented qualit...
02/02/2023
Goldcrest Post Prepares Cat Person for Sundance Premiere
Brie Clayton February 2, 2023
0 Comments
Goldcrest Post helped to prepare Cat Person for its...
02/02/2023
Berklee's Signature Series Presents Gumbo Stories: A Black History Celebrati...
02/02/2023
Berklee and Electronic Arts Announce Next Gen Scholarship Program The new partnership will establish an annual scholarship and mentorship program.
By
Tori D...
02/02/2023
Claudia Brant Named 2023 Herb Alpert Visiting Artist for Berklee's Songwriti...
02/02/2023
Restore Deleted Audio in Adobe Premiere Pro
Colin Smith February 1, 2023
0 Comments
This tutorial shows you how to use Match Frame to find a deleted au...
02/02/2023
Gravity Media Expands its Talented USA Team with the Appointment of Jessica Mont...
02/02/2023
OKC Film Office launches to help spur growth in city's film industry
Brie Clayton February 1, 2023
0 Comments
The Oklahoma City Office of Film and ...
02/02/2023
Adobe Lightroom Brings Professional Photo Editing to Samsung Galaxy S23 Series
Brie Clayton February 1, 2023
0 Comments
Today, Adobe announced that Sam...
02/02/2023
Two WRAL-TV News Photographers recently placed in the National Press Photographers Association's Quarterly Clip Contest. Lauren DesArmo and Sean Braswell ea...
02/02/2023
Netflix announced today that in addition to the 4K HDR titles it makes available to its Premium subscribers, it is now adding spatial audio, which will be avail...
02/02/2023
NEW YORK In a notable example of the growing tensions between national broadcast networks and local station groups (opens in new tab), a number of major station...
02/02/2023
SAN FRANCISCO The free streaming service Tubi has inked a massive content deal with Warner Bros. Discovery that will add 14 WB branded FAST channels and over 22...
02/02/2023
WASHINGTON, D.C. Pluria Marshall Jr., the CEO of Marshall Broadcasting, has sent a letter to FCC chair Jessica Rosenworcel backing Standard General's propos...
02/02/2023
JERICO, N.Y. As media companies worry about the possibility of an upcoming recession and the problems that might create for their ad revenue in 2023, a new surv...