October 03, 2025

Tokyo-1 Drug Discovery Hackathon 2025 Event Report

Tokyo-1 Drug Discovery Hackathon 2025 Event Report
We held the Tokyo-1 Drug Discovery Hackathon 2025 over two days on Thursday, August 28 and Friday, August 29, 2025.

Event Overview

  • Topic：Collaborative validation of cutting-edge use cases in GPU × AI × Drug Discovery in an intensive short-term format
  • Objectives：
    • Enable members from Tokyo-1 participating companies and Xeureka to collaborate in the same room with the same computing environment to build prototypes of novel or high-profile workflows
    • Share expertise across teams and feed results back into upcoming or current SWG themes to strengthen the community’s practical capabilities and solidarity
  • Challenge Topics：Using Boltz-2 and other tools
    1. Building a workflow for predicting small molecule compound activity
    2. Building a workflow for predicting nanobody antibody complex structures
  • Participants：30 participants total from Tokyo-1 participating companies, guest companies, faculty and graduate students of Institute of Science Tokyo, and Xeureka members
  • Team Formation：Participants were shuffled to form three mixed teams
  • Computing Environment：Tokyo-1 virtualized environment, 3 Slurm VMs, 3 DGX H100 units

Day 1

Following a lecture by Professor Akiyama from the Institute of Science Tokyo in the morning, ice-breaking activities were conducted to deepen interaction within teams. In the afternoon, each team tackled the two challenge topics. The teams progressed with a diversity of styles—leader-facilitated, agile, and planning-oriented approaches—each demonstrating unique characteristics. In the evening, a networking reception fostered various interactions among junior teams, veteran teams, and industry-academia mixed teams, generating lively discussions across organizational boundaries.

Day 2

Following a lecture by Associate Professor Ohue from the Institute of Science Tokyo in the morning, teams continued their work from the previous day. In the afternoon, teams presented their results, and through evaluation by the professors and observers, team awards and MVPs from each team were selected.

Summary

This Hackathon was Tokyo-1’s first initiative of its kind, and through the united efforts of participants, observers, and the secretariat, we successfully completed a fulfilling two-day program.
Embodying the community’s motto of “Participate, teach and help each other” the event received high praise as

  • A place for technical skill acquisition (hands-on experience with cutting-edge AI and drug discovery themes)
  • A place for networking（discussions transcending boundaries between pharmaceutical companies, other industries, and students）
  • A place for challenge（an extraordinary experience of producing results within limited time）

This initiative truly exemplified what an innovation hub represents.
We will continue to further stimulate the Tokyo-1 community and are planning similar offline events for next year. We look forward to your participation.

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