Mitsui & Co., Ltd., one among Japan’s largest enterprise conglomerates, is collaborating with NVIDIA on Tokyo-1 — an initiative to supercharge the nation’s pharmaceutical leaders with know-how, together with high-resolution molecular dynamics simulations and generative AI fashions for drug discovery.
Introduced at present on the NVIDIA GTC international AI convention, the Tokyo-1 undertaking options an NVIDIA DGX AI supercomputer that will probably be accessible to Japan’s pharma firms and startups. The hassle is poised to speed up Japan’s $100 billion pharma trade, the world’s third largest following the U.S. and China.
“Japanese pharma firms are specialists in moist lab analysis, however they haven’t but taken benefit of excessive efficiency computing and AI on a big scale,” stated Yuhi Abe, normal supervisor of the digital healthcare enterprise division at Mitsui. “With Tokyo-1, we’re creating an innovation hub that may allow the pharma trade to remodel the panorama with state-of-the-art instruments for AI-accelerated drug discovery.”
The undertaking will present prospects with entry to NVIDIA DGX H100 nodes supporting molecular dynamics simulations, giant language mannequin coaching, quantum chemistry, generative AI fashions that create novel molecular constructions for potential medication, and extra. Tokyo-1 customers can even harness giant language fashions for chemistry, protein, DNA and RNA knowledge codecs by means of the NVIDIA BioNeMo drug discovery software program and repair.
Xeureka, a Mitsui subsidiary targeted on AI-powered drug discovery, will probably be working Tokyo-1, which is anticipated to go surfing later this 12 months. The initiative will even embody workshops and technical coaching on accelerated computing and AI for drug discovery.
Invigorating Drug Discovery Analysis With AI, HPC
In line with Abe, Japan’s pharmaceutical atmosphere has lengthy confronted drug lag: delays in each drug growth and the approval of therapies which might be already out there elsewhere. The issue obtained renewed consideration throughout the race to develop vaccines throughout the COVID-19 pandemic.
The nation’s pharmaceutical firms see AI adoption as a part of the answer — a key instrument to strengthen and speed up the trade’s drug growth pipeline. Coaching and fine-tuning AI fashions for drug discovery require monumental compute assets, such because the Tokyo-1 supercomputer, which in its first iteration will embody 16 NVIDIA DGX H100 methods, every with eight NVIDIA H100 Tensor Core GPUs.
The DGX H100 is predicated on the highly effective NVIDIA Hopper GPU structure, which incorporates a Transformer Engine designed to speed up the coaching of transformer fashions, together with generative AI fashions for biology and chemistry. Xeureka plans so as to add extra nodes to the system because the undertaking grows.
“Tokyo-1 is designed to handle a few of the obstacles to implementing data-driven, AI-accelerated drug discovery in Japan,” stated Hiroki Makiguchi, product engineering supervisor within the science and know-how division at Xeureka. “This initiative will uplevel the Japanese pharmaceutical trade with excessive efficiency computing and unlock the potential of generative AI to find new therapies.”
Clients will have the ability to entry a devoted server on the supercomputer, obtain technical assist from Xeureka and NVIDIA, and take part in workshops from the 2 firms. For bigger coaching runs that require extra computational assets, prospects can request entry to a server with extra nodes. Customers can even buy Xeureka’s software program options for molecular dynamics, docking, quantum chemistry and free-energy perturbation calculations.
By utilizing NVIDIA BioNeMo software program on the Tokyo-1 supercomputer, researchers will have the ability to scale state-of-the-art AI fashions to tens of millions and billions of parameters for functions together with protein construction prediction, small molecule technology and pose prediction estimation.
Tokyo-1 Accelerates Japanese Corporations in Pharma and Past
Main Japanese pharma firms together with Astellas Pharma, Daiichi-Sankyo and Ono Pharmaceutical are already planning to advance their drug discovery tasks with Tokyo-1.
Tokyo-based Astellas Pharma is pursuing revolutionary digital options throughout its enterprise — together with in gross sales, manufacturing, and analysis and growth — to maximise outcomes for sufferers and cut back the prices of healthcare. With Tokyo-1, the corporate will speed up its analysis with molecular simulations and huge language fashions for generative AI by means of NVIDIA BioNeMo software program.
“AI and large-scale simulations can be utilized for functions together with small molecule compounds, antibodies, gene remedy, cell remedy, focused protein degradation, engineered phage remedy and mRNA drugs,” stated Kazuhisa Tsunoyama, head of digital analysis options, superior informatics and analytics at Astellas. “By enabling us to take full benefit of latest advances in AI and simulation know-how, Tokyo-1 will probably be one of many foundations on which Astellas can obtain its VISION for the way forward for pharmaceutical analysis.”
Tokyo-based Daiichi Sankyo will use Tokyo-1 to determine a drug discovery course of that totally integrates AI and machine studying.
“By adopting AI and the cutting-edge GPU assets of Tokyo-1, we will carry out large-scale computations to speed up our drug discovery efforts,” stated Takayuki Serizawa, senior researcher at Daiichi Sankyo. “These developments will present new worth to sufferers by enhancing drug supply and probably enabling personalised drugs.”
Ono Pharmaceutical, primarily based in Osaka, focuses on drug discovery within the fields of oncology, immunology and neurology.
“Coaching AI fashions requires important computational energy, and we imagine that the large GPU assets of Tokyo-1 will clear up this drawback,” stated Hiromu Egashira, director of the Drug Discovery DX Workplace within the drug discovery know-how division at Ono. “We envision our use of the DGX supercomputer to be very broad, together with high-quality simulations, picture evaluation, video evaluation and language fashions.”
Past the pharmaceutical trade, Mitsui plans to make the Tokyo-1 supercomputer accessible to Japanese medical-device firms and startups — and to attach Tokyo-1 prospects to AI options developed by international healthcare startups within the NVIDIA Inception program. NVIDIA will even join Tokyo-1 customers with the tons of of worldwide life science prospects in its developer community.
Watch the GTC keynote deal with by NVIDIA founder and CEO Jensen Huang beneath: