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NVIDIA and Persistent Systems Partner to Bring ‘Agentic AI’ to Drug Discovery

by Fred Pennic 03/17/2026 Leave a Comment

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NVIDIA and Persistent Systems Partner to Bring 'Agentic AI' to Drug Discovery
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What You Should Know

  • The Partnership: Persistent Systems, a global digital engineering firm, is collaborating with NVIDIA to deploy AI-powered solutions specifically for the Healthcare and Life Sciences (HLS) sector.
  • The Goal: The collaboration aims to move BioPharma companies out of the “AI experimentation” phase and into real-world, production-grade deployments for computational drug discovery and research.
  • The Tech Stack: Persistent is utilizing the full-stack NVIDIA AI platform, including NVIDIA AI Enterprise, the BioNeMo platform (specifically designed for digital biology), the NeMo Agent Toolkit, and NIM microservices.
  • The Core Product: As part of the collaboration, Persistent has built GenMolVS (Generative Molecules and Virtual Screening). This solution uses “Agentic AI” to model the physical and chemical properties of molecules, allowing research teams to run high-fidelity simulations and virtual screenings before committing to expensive, time-consuming experiments in physical “wet” laboratories.
  • The ROI: By simulating biological and chemical behaviors in a digital environment, life sciences organizations can significantly de-risk early-stage discovery, accelerate experimental cycles from months to days, and improve the success rates of their clinical development pipelines.

The Rise of ‘Agentic’ Workflows in BioPharma

The most significant technological development in this announcement is the explicit focus on “Agentic AI.” Unlike early generative AI models that simply answered prompts or summarized text, Agentic AI systems are capable of continuous, autonomous decision-making to achieve a specific goal. To execute this, Persistent has launched a proprietary solution called GenMolVS (Generative Molecules and Virtual Screening).

Powered by the NVIDIA BioNeMo platform and the NeMo Agent Toolkit, GenMolVS delivers AI-driven molecular simulations that model the physical and chemical properties of novel molecules. The system creates intelligent agents to streamline workflows in real-time. Instead of a human researcher manually prioritizing which compounds to test, these agentic workflows enable continuous decisioning across virtual screening and candidate prioritization.

“Healthcare and Life Sciences organizations need to discover new therapies faster, but traditional R&D is too slow and labor-intensive,” said Ganesh Nathella, Executive Vice President and General Manager of the HLS Business at Persistent. “By combining our GenMolVS solution with NVIDIA’s full-stack AI platform, we enable BioPharma clients to use generative molecules and virtual screening in production so they can move from months-long experiments to AI-driven discovery in days.”

De-Risking the Pipeline

The financial and operational ROI of this collaboration is massive. Research teams can essentially translate digital simulations into highly informed, targeted wet laboratory experiments utilizing high-fidelity molecular simulation and virtual screening at scale.If a pharmaceutical company can mathematically prove that a molecule will fail to bind to a target before they spend millions of dollars synthesizing it in a lab, they drastically de-risk their early-stage discovery. This simulation-led approach accelerates experimental cycles and ultimately improves downstream success rates in clinical development pipelines.

To support this massive computational load, Persistent is deploying NVIDIA accelerated computes, servers, and NVIDIA NIM microservices.

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Tagged With: Artificial Intelligence, NVIDIA

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