Simulations Plus, NVIDIA Team to Scale GPU-Boosted Modeling Workflows

Simulations Plus, Inc., a company vested in AI-accelerated drug development, reports the launch of a technical collaboration with NVIDIA focused on enabling GPU-accelerated simulation and AI-assisted workflows for computationally intensive modeling applications within the drug development lifecycle.

The collaboration brings together Simulations Plus’ validated scientific engines across physiologically-based pharmacokinetics (PBPK), pharmacokinetics/pharmacodynamics (PK/PD), and quantitative systems pharmacology (QSP) with NVIDIA AI infrastructure to help scale simulation cycles, parameter exploration, and virtual population studies. 

NVIDIA contributes computing infrastructure in accelerated inference and GPU-native optimization. NVIDIA also brings access to its life sciences ecosystem, including the NVIDIA BioNeMo platform and a global network of pharmaceutical partners.

“For three decades, Simulations Plus has helped pharmaceutical and biotechnology organizations apply modeling and simulation with confidence across drug development. Our collaboration with NVIDIA brings together validated science, accelerated computing, and AI capabilities in a way that expands what scientific teams are able to explore and accomplish,” says Shawn O’Connor, chief executive officer of Simulations Plus.

The collaboration is initially focused on three areas:

Scientific engines

Simulations Plus has begun developing GPU-optimized simulation capabilities for QSP and PK/PD application. This enables scientists to evaluate a range of hypotheses without pre-pruning models.

AI-assisted scientific workflows

Simulations Plus is applying AI-assisted approaches, informed by NVIDIA’s expertise in accelerated inference and agentic AI, to support model construction, parameter fitting, diagnostics, and refinement. By reducing manual steps, these workflows will allow scientists to focus more on scientific interpretation and decision-making.

Advancing quantitative systems pharmacology

Simulations Plus is prioritizing QSP workflows by applying GPU acceleration and AI-assisted methods. Current testing shows up to a 75% reduction in time required for end-to-end QSP modeling.

As part of the collaboration, the companies plan to engage select pharmaceutical partners to evaluate these capabilities in real-world drug development workflows.

“Scientific teams are asking for faster iteration, greater scale, and better ways to work across increasingly complex modeling problems. By combining our validated scientific engines with AI-assisted workflows and accelerated computing, we are extending our platform into a more integrated modeling ecosystem—where workflows scale across domains like QSP while remaining grounded in reproducible, scientifically validated outputs,” says Erik Guffrey, co-chief product and technology officer of Simulations Plus.

“Biopharma teams need platforms that can connect mechanistic modeling, AI, and high-performance simulation into workflows scientists can actually use. By bringing NVIDIA accelerated computing and AI infrastructure together with Simulations Plus’ deep expertise in model-informed drug development, we can help researchers run more complex models, explore larger design spaces, and move from insight to decision faster,” says Anthony Costa, director of Digital Biology and Health, NVIDIA.

Sources: Press materials received from the company and additional information gleaned from the company’s website.