Simulations Plus, Inc., 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 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 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,” said Shawn O’Connor, Chief Executive Officer of Simulations Plus.
The collaboration is initially focused on three 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.
Advancing quantitative systems pharmacology
Simulations Plus is prioritizing QSP workflows—one of the most computationally demanding areas in drug development—by applying GPU acceleration and AI-assisted methods to improve simulation efficiency and expand practical use in pharmaceutical R&D. Current testing shows up to a 75% reduction in time required for end-to-end QSP modeling, enabling faster iteration and expanding the practical use of QSP within program timelines.
As part of the collaboration, the companies plan to engage select pharmaceutical partners to evaluate these capabilities in real-world drug development workflows, with initial focus on high-complexity modeling use cases.
“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,” said 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," said Anthony Costa, Director of Digital Biology and Health, NVIDIA.
