Livermore Lab: Cancer Drug Candidate Developed Using HPC and AI Blocks Tumor Growth

A new cancer drug candidate developed by Lawrence Livermore National Lab, BridgeBio Oncology Therapeutics and the Frederick National Laboratory for Cancer Research shows the ability to block tumor growth without a common side effect ….

SandboxAQ Announces ‘SAIR’ Open Dataset for Drug Discovery

Palo Alto, CA; June 18, 2025 – SandboxAQ today announced the launch of SAIR (Structurally Augmented IC50 Repository), a dataset of protein-ligand pairs with annotated experimental potency data for computational drug discovery. Leveraging NVIDIA DGX Cloud, a development platform for AI training and fine-tuning, and SandboxAQ’s advanced AI Large Quantitative Model (LQM) capabilities, SandboxAQ generated […]

Cadence Unveils Millennium M2000 Supercomputer with NVIDIA Blackwell Systems

SANTA CLARA, Calif.– Cadence today announced the Millennium M2000 Supercomputer featuring NVIDIA Blackwell systems, for AI-basted simulation for engineering and drug design workloads. The supercomputer integrates Cadence’s solvers with NVIDIA HGX B200 systems, NVIDIA RTX PRO 6000 Blackwell Server Edition GPUs and NVIDIA CUDA-X libraries and solver software. Cadence said this combination reduces simulation run times and up to […]

Livermore Lab and BridgeBio Announce Human Trials for HPC-Discovered Cancer Drug

In what Lawrence Livermore National Lab said is “a substantial milestone for supercomputing-aided drug design,” LLNL and BridgeBio Oncology Therapeutics  today announced clinical trials have begun for ….

How Can Data Science Accelerate Drug Discovery Processes?

In this contributed article, April Miller, senior IT and cybersecurity writer for ReHack Magazine, describes how thoughtfully applied data science principles and tools empower modern researchers to find new, viable treatment methods for various diseases and ailments. Humans will always be essential to drug discoveries, but the fascinating examples here and elsewhere show the power of using purposeful data analytics to meet shared goals. 

Classiq and Quantum Intelligence Partner on Drug Development

SEOUL, SOUTH KOREA and TEL AVIV, ISRAEL | April 04, 2024 — Quantum computing software company Classiq and Quantum Intelligence Corp. today announced the launch of joint research for drug development by applying quantum computing to pharmacology. The collaboration is under the auspices of Classiq’s Quantum Computing For Life Sciences & Healthcare Center, launched with NVIDIA […]

Flatiron Institute Using Argonne HPC to Design Peptide-based Drugs with Quantum Mechanics

A team from the Flatiron Institute is leveraging supercomputing resources from the Argonne Leadership Computing Facility to advance the design of peptides with the aim of speeding up the search for promising new drugs. “Existing peptide drugs rank among our best medicines, but almost all of them have been discovered in nature. They’re not something […]

QC Ware Launches Promethium for Pharmaceutical,  Chemical and Materials Discovery

PALO ALTO, Calif., April 18, 2023 — QC Ware, a provider of chemistry simulation and machine learning solutions, today announced the release of Promethium, a modern software-as-a-service (SaaS) quantum chemistry platform designed to accelerate pharmaceutical, chemical and materials discovery. Promethium’s platform offers a range of capabilities designed to help companies overcome various challenges in the […]

Silicon Mechanics Delivers 10x HPC Run Time Boost for Oklahoma Medical Research Foundation

[SPONSORED CONTENT]   In biomedical research it’s accelerate or perish. Drug discovery is a trial-and-error process driven by simulations – faster simulations, enabled by compute- and data-intensive technologies, mean more runs in less time, resulting in errors identified and solutions achieved. Established in 1946, the Oklahoma Medical Research Foundation is a nonprofit research institute with more than 450 staff and over 50 labs studying cancer, heart disease, autoimmune disorders and aging-related diseases. OMRF discoveries led to the first, U.S.-approved therapy targeting sickle cell disease and the first approved treatment for neuromyelitis optica spectrum disorder, an autoimmune disease.  The foundation’s research is enabled in part by advanced technology – accelerated clusters and high-performance data storage that support workloads fueled by massive data sets.

Dotmatics Launches Chemistry Solution for Small Molecule Drug Discovery

Boston, July 18, 2022 – Dotmatics, an R&D scientific software company connecting science, data and decision-making, today announced the release of its Chemistry Solution for Small Molecule Drug Discovery, a package of scientific R&D applications, workflows and data management capabilities. The solution combines Dotmatics’ enterprise scientific platform with workflows and best practices derived from the […]