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

NeurIPS 2025 Workshop @ San Diego, California, USA

San Diego Convention Center Upper Level Room 28A-E

Saturday, December 6, 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

  • Sep. 2025: Camera-ready paper submission is due by Friday, Oct. 17, 2025 (AOE).
  • Sep. 2025: Decision notifications have been sent. We look forward to seeing you all in San Diego this December!
  • Sep. 2025: The submission deadline has passed. Reviewers are now evaluating submissions, and decisions will be announced on Sep. 22, 2025.
  • Sep. 2025: We are pleased to announce the official workshop date and venue: Saturday, December 6, 2025 at the San Diego Convention Center Upper Level Room 28A–E.
  • Jul. 2025: Our workshop proposal is accepted by NeurIPS-2025 and our website is launched! See you in San Diego in December!

Important Dates

  • Saturday December 6, 2025: Workshop Date!
  • Friday October 17, 2025: Camera Ready Deadline (Anywhere On Earth, UTC-12)
  • Monday September 22, 2025: Paper Decision Notification
  • Sunday September 7, 2025: Submission Deadline (AOE time)
Check out the Call for Papers for more details.

Contact

ai4d3-workshop@googlegroups.com