New Frontiers of AI for Drug Discovery and Development

NeurIPS 2023 Workshop @ New Orleans, Louisiana, USA

Room 242 @ Ernest N. Morial Convention Center

December 15, 2023

Important Dates

  • October 4, 2023 September 29, 2023: Submission Deadline (Anywhere On Earth, UTC-12)
  • October 25, 2023 October 20, 2023: Paper Decision Notification
  • December 15, 2023: Workshop Date

Call for Papers

We welcome submissions of original studies addressing topics relevant to AI for drug discovery and development, including but not limit to:
  • Genomic representation learning
  • Molecular representation learning
  • Target identification
  • Drug repurposing
  • Molecule optimization
  • Binding and affinity prediction
  • Pocket-based drug design
  • Structure-based drug design
  • Antibody design
  • Drug safety prediction
  • Clinical outcomes prediction
  • Precision drug dosage
  • Drug characterization (e.g., solubility, stability, particle size, ...)
  • Clinical trial design and optimization
  • New drug discovery and development datasets and benchmarks
  • Regulations on drug discovery and development
This is a summary of the workshop's focus, which is not exhaustive. If you are unsure whether your paper fits the venue, please feel free to contact

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 after the decision notification. 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  • All accepted papers will be non-archival, that is, they will not be published in any formal proceedings or journals.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.