AI Virtual Cells and Instruments: A New Era in Drug Discovery and Development
NeurIPS 2025 Workshop @ San Diego, California, USA
December 2025
NeurIPS 2025 Workshop @ San Diego, California, USA
December 2025
Call for Papers
We welcome submissions of original studies addressing topics relevant to AI virtual cells and instruments, including but not limited to:- Virtual screening engines
- AI-guided hypothesis testing
- Generative models for molecular design and optimization, and protein–ligand binding
- In silico perturbation platforms for simulating gene knockouts and drug effects
- Generative models for drug safety and toxicity, and precision dosing
- Predictive models for target identification and drug repurposing
- Tokenizing genomes and molecules for controllable generation
- Clinical trial design and simulation
- Iterative feedback loops between laboratory data and AI models
- New datasets and benchmarks for AI virtual cells and instruments
Submission Requirements
- Submissions should use the NeurIPS AI4D3 style file, have 4-8 pages for the main paper and unlimited pages for the references and appendix.
- Submissions should be anonymized to incroporate with our double-blind review policy.
- Submissions should be uploaded on OpenReview which is used to manage submissions, reviews, and decisions.
After Submission
- By default all accepted papers, including paper title, author list, and the whole paper, will be made public on our workshop website. However, authors of accepted papers can choose to release their paper title and author list only.
- All accepted papers will be non-archival, that is, they will not be published in any formal proceedings or journals.
- From accepted papers, we will carefully award one Best Paper Award and one Best Student Paper Award, and we will invite four papers for oral presentations.
- Rejected submissions will not be made public.