Simulations Plus and NVIDIA Collaborate to Scale GPU Accelerated, AI-Assisted Modeling Workflows

Simulations Plus, Inc. (“Simulations Plus” or the “Company”), a global leader in model-informed and AI accelerated drug development that advances biopharma innovation, announced the launch of a technical collaboration with NVIDIA focused on enabling graphics processing unit (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 accelerate and scale simulation cycles, parameter exploration, and virtual population studies. Together, these capabilities address two core constraints in model-informed drug development (MIDD): reducing manual, expertise-driven work and enabling large-scale exploration of model structures and parameters in parallel—shifting modeling from a sequential process to a more iterative, data-informed workflow operating at program-relevant timelines.

NVIDIA contributes advanced computing infrastructure and expertise in accelerated inference and GPU-native optimization to improve simulation performance and enable interactive, AI-assisted workflows. NVIDIA also brings access to its life sciences ecosystem, including the NVIDIA BioNeMo platform and a global network of pharmaceutical partners, supporting broader engagement and adoption.

“For 3 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,” said Shawn O’Connor, Chief Executive Officer of Simulations Plus.

The collaboration is initially focused on two areas:

Next-generation scientific engines

Simulations Plus has begun developing GPU-optimized simulation capabilities for QSP and PK/PD applications, reducing runtimes and enabling broader exploration of complex biological systems. This enables scientists to evaluate a broader range of hypotheses without pre-pruning models, increasing confidence in model selection and supporting more robust program decisions.

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—reducing manual effort and accelerating iteration from question to analysis. By reducing manual, time-intensive steps, these workflows will allow scientists to focus more on scientific interpretation and decision-making, significantly accelerating iteration cycles within drug development programs.