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

Workshop Website on

Drug discovery and development is costly, time-consuming, and highly uncertain on the outcomes. Since its emergence, AI has been envisioned to nearly every phase of drug discovery and development to accelerate time-to-market of effective medicines and to improve the quality of life while minimizing the risk of adverse reactions for patients. In this workshop, we aim to foster discussion about the challenges, discoveries, and opportunities of AI for drug discovery and development.

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  • Dec. 2023: Excited to see y'all in NOLA in a week! Join us in AI4D3 at NeurIPS'23 for inspirational talks, round table discussion, oral/poster presentations and more!
  • Nov. 2023: Instructions on Camera Ready Revision can be found here and the deadline is Wednesday November 29, 2023 AOE time.
  • Nov. 2023: Happy to launch our website on! You can find our schedule and all accepted papers!
  • Oct. 2023: Paper decision notifications are out! Congratulations to all authors with accepted papers! Also, we would like to thank our reviewers and PC chairs for their wonderful work!
  • Sep. 2023: Paper submission deadline has been extended to Wednesday October 4, 2023 AOE time!
  • Sep. 2023: Upon multiple requests, we are happy to provide accepted paper authors with the opt-out option, that is, they can choose to release paper title and author list, not the whole paper on our website. This option is designed for later journal submissions.
  • Aug. 2023: Call for Roundtable Discussion Leaders and Program Committee Members! See Get Involved! for more details!
  • Aug. 2023: Happy to annouce our invited speakers! They are Michael Bronstein (Oxford), Haoda Fu (Eli Lilly), Wengong Jin (MIT), Iya Khalil (Merck), Jian Tang (Mila), and Marinka Zitnik (Harvard)!
  • Aug. 2023: Happy to launch our AI4D3 account on X! Feel free to follow it and let's stay connected!
  • Jul. 2023: Happy to annouce our student volunteers! They are Yasha Ektefaie (Harvard), Ada Fang (Harvard) and Yunchao (Lance) Liu (Vanderbilt)!
  • Jul. 2023: Happy to annouce our organization team! They are Animashree Anandkumar (Caltech & NVIDIA), Ilija Bogunovic (UCL), Ti-chiun Chang (Merck), Quanquan Gu (UCLA & ByteDance), Jure Leskovec (Stanford), Michelle M. Li (Harvard), Chong Liu (UCSB & UChicago), Natasa Tagasovska (Genentech), Mengdi Wang (Princeton), and Wei Wang (UArizona)!
  • Jul. 2023: Our workshop proposal is accepted by NeurIPS 2023 and our website is launched! See you in New Orleans in December!

Important Dates

  • Friday December 15, 2023: Workshop Date!
  • Wednesday November 29, 2023: Camera Ready Deadline (Anywhere On Earth, UTC-12)
  • Wednesday October 25, 2023: Paper Decision Notification
  • Wednesday October 4, 2023: Submission Deadline (AOE time)
Check out the Call for Papers for more details.