Simulations Plus AI drug development capabilities are expanding through a new initiative with NVIDIA BioNeMo Agent Toolkit. Simulations Plus, Inc. (Nasdaq: SLP), a global leader in model-informed and AI-accelerated drug development, announced the advancement of its Composer platform. The company is building the agentic layer of Composer using the NVIDIA BioNeMo Agent Toolkit. This development strengthens Simulations Plus’ AI-native platform for model-informed drug development. Furthermore, the initiative extends the collaboration between Simulations Plus and NVIDIA. The companies announced their expanded partnership in May 2026. Through this collaboration, both companies are advancing GPU-accelerated simulation and AI-assisted modeling workflows. Additionally, they are introducing new capabilities for agentic drug development.
The companies are combining AI reasoning, scientific literature, validated computational engines, and scalable computing resources. As a result, researchers can access a more connected scientific workflow. The announcement follows NVIDIA’s introduction of the BioNeMo Agent Toolkit at the BIO International Convention. The integration focuses on improving scientific reasoning and accelerating complex pharmaceutical research processes. Simulations Plus is initially applying the technology across two major areas. These areas include trusted scientific evidence analysis and large-scale quantitative systems pharmacology acceleration.
Simulations Plus and NVIDIA Strengthen Scientific AI Workflows
The first focus area involves grounding scientific reasoning through reliable evidence. Composer agents are expected to use NVIDIA Nemotron™ Parse to extract and organize information from scientific literature. This capability allows agents to identify relevant research evidence while maintaining connections to original sources. Therefore, researchers can review recommendations and conclusions with clear supporting references.
The approach improves transparency throughout the scientific development process. Moreover, it helps researchers maintain confidence in AI-generated insights. The second focus area focuses on accelerating quantitative systems pharmacology (QSP) at scale. Simulations Plus and NVIDIA are advancing nvQSP, a collaborative development initiative. The initiative focuses on CUDA-optimized ordinary differential equation (ODE) solvers for QSP applications. By using NVIDIA accelerated computing infrastructure, researchers can perform complex simulations more efficiently.
Additionally, nvQSP allows scientists to explore wider parameter spaces and evaluate more research possibilities. It also supports faster experimentation across complex biological systems. The technology builds on previous collaboration between Simulations Plus and NVIDIA. Earlier efforts focused on improving computationally demanding QSP workflows through GPU-optimized simulation technology. These capabilities are now being integrated into Composer. Therefore, AI agents can coordinate scientific workflows while using validated computational engines and evidence-based information.
“AI can help scientists explore more possibilities, but in drug development those insights must remain reproducible, explainable, and grounded in validated science,” said Erik Guffrey, Co-Chief Product and Technology Officer of Simulations Plus. “By combining the NVIDIA BioNeMo Agent Toolkit with our scientific engines, we’re building agents that seek to accelerate scientific work while preserving the rigor required for critical development decisions.”
The initiative supports Simulations Plus’ broader strategy. The company aims to connect AI reasoning, scientific knowledge, and validated computational engines within one environment.
“We believe agentic AI represents an important evolution in how scientists interact with models, data, and scientific knowledge,” said Shawn O’Connor, Chief Executive Officer of Simulations Plus. “Our goal is to help researchers move from question to insight more efficiently while keeping validated science at the center of decision-making.”
Through this advancement, Simulations Plus continues strengthening AI-powered drug discovery and model-informed development solutions for the biopharmaceutical industry.
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News Source: Businesswire.com
