AI Virtual Cells and Instruments: A New Era in Drug Discovery and Development

NeurIPS 2025 Workshop @ San Diego, California, USA

December 2025

Workshop Website on Neurips.cc

As the US FDA phases out animal testing requirements for drug discovery and development, AI tools will become widely adopted to simulate the effects of candidate drugs. We posit that building virtual cells and instruments with AI is poised to transform drug discovery and development by enabling large-scale simulation and interrogation of molecules, cells, and tissues. In our workshop, we will collaboratively define and promote this emerging scientific paradigm of AI to accelerate the drug discovery and development process in this new era.

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News

• Jul. 2025: Our workshop proposal is accepted by NeurIPS-2025 and our website is launched! See you in San Diego in December!

Important Dates

• Monday September 22, 2025: Paper Decision Notification
• Friday August 22, 2025: Submission Deadline (AOE time)

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