Global Leaders in Machine Learning and Hit Discovery Unite: AIRCHECK Workshop | April 9-10, 2025

 

Attend the AIRCHECK Workshop and get hands-on experience with a cutting-edge data platform.

Register Today!

Join us in Toronto on April 9-10, 2025, for the AIRCHECK Workshop, hosted by the Structural Genomics Consortium (SGC) and the University Health Network (UHN) in partnership with Google. This exclusive event offers participants in-depth training with AIRCHECK. Explore how this cutting-edge platform empowers researchers to train and refine AI models, transforming drug discovery into a faster, more efficient, and cost-effective process. 

A key feature of the workshop is the AIRCHECK Hackathon, an interactive, hands-on experience where participants apply machine learning in drug discovery using real-world, high-quality datasets. This one-day event follows the main workshop sessions and consists of two key components: Training and Challenge. 

Training

Challenge

Participants will gain early access to high-quality experimental datasets and learn how data is generated, processed, and stored within AIRCHECK. Through guided sessions, they will explore how machine learning models are trained to predict bioactive molecules. Participants grouped into teams will put their skills to the test, using AIRCHECK datasets months before their public release. Working in a collaborative and supportive environment, participants will build and refine models designed to identify novel, potent drug candidates.

 

Introducing AIRCHECK (Artificial Intelligence-Ready CHEmiCal Knowledge base)

Co-developed by the SGC and UHN, AIRCHECK is a secure, cloud-based open data platform hosted on Google Cloud. It curates and integrates protein-small molecule binding data generated using cutting-edge experimental technologies, combining storage, dissemination, and AI model development. Designed to facilitate the prediction, testing, and refinement of small molecule protein binders, AIRCHECK is transforming how researchers approach early-stage drug development by advancing AI-driven methods for hit discovery.

Learn more about AIRCHECK: https://aircheck.ai/

 

Discover MAINFRAME

The workshop will also introduce MAINFRAME, an international network fostering collaboration among ML/AI experts, industry professionals, and academics. A growing community of members will participate in MAINFRAME challenges, tackling real-world hit discovery problems using AIRCHECK datasets, months before their public release.

By attending the AIRCHECK Workshop you will get a sneak peek of the exclusive benefits of the MAINFRAME member. This is an unparalleled opportunity to connect and get priority access to future workshops, hackathons, and collaborations within the MAINFRAME network. 

Learn more about MAINFRAME: https://www.aircheck.ai/mainframe 

Why You Should Attend

  • Attend sessions with world-renowned experts in the field as they showcase cutting-edge AI and computational approaches to drug discovery.
  • Gain exclusive, early access to AIRCHECK datasets and tools.
  • Learn how to generate, process, and store high-quality biomedical datasets for AI-driven analysis.
  • Put your skills to the test, working with real-world data to optimize predictive models.
  • Collaborate on real-world challenges in a hands-on, supportive environment.
  • Get a sneak peek of MAINFRAME and its exclusive benefits.
  • Network with leading scientists from SGC and our partners from UHN and Google.

The AIRCHECK Workshop is open to all, but it’s just the beginning! Future events will be exclusive to MAINFRAME members- an emerging community of machine learning scientists and computational chemists shaping the future of AI and open science.

Spaces for in-person participation are limited—secure your spot today!
 

Register Today

    Important Information About AIRCHECK Workshop

  • Workshop Location

  • Program

  • Why Should I Participate in the Hackathon?

  • Accommodation

  • Registration

Our venue for the workshop is the Google Offices, in Toronto. 

Address: 65 King St E, Toronto, ON M5C 0B2

 

How to Get There

The Google Offices are located in downtown Toronto, just a 3-minute walk from King Station. While paid parking options are available nearby, we recommend walking or taking public transit.

On arrival at the main entrance, you will have to identify yourself at the reception desk. A designated Googler will help you access our registration desk.

All presentations are scheduled to be conducted in person and live at the designated date and time outlined below unless otherwise indicated. Please note that all times are specified in Eastern Standard Time (EST). The program is currently in progress.

DAY 1 – April 9, 2025

INTRODUCTION

  • 9:00 – 9:05 AM Welcome [Speaker: Benjamin Haibe-Kains, University Health Network – Structural Genomics Consortium]
  • 9:05 – 9:20 AM Introductory Remarks [Speaker: Cheryl Arrowsmith, Structural Genomics Consortium]

SESSION 1: Hit Finding (DEL/ASMS)

  • 9:20 – 10:10 AM The Gap Between Academia and Industry for Molecular AI [Speaker: Patrick Riley, VidaVinci] 
  • 10:10 – 10:30 AM Accelerating Drug Discovery with a High-Throughput Enantioselective AS-MS Platform [Speaker: Levon Halabelian, University of Toronto – Structural Genomics Consortium] 
  • 10:30 – 10:50 AM Hit Finding Industry Perspective 1 
  • 10:50 – 11:10 AM Hit Finding Industry Perspective 2 

Coffee/Tea Break

  • 11:10 AM – 11:25 AM

SESSION  2: Hit Prioritization in the Open

  • 11:25 AM – 12:10 PM Towards a Unified Approach for Biomolecular Interaction Modeling [Speaker: Gabriele Corso, MIT, USA]  
  • 12:10 – 12:40 PM Machine learning scoring functions for hit prioritization: lessons from Cache challenge [Speaker: Karina Machado, Federal University of Rio Grande, Brazil] 
  • 12:40 – 1:10 PM Performance and benefits of AI-based Protein folding for hit prioritization  [Speaker: Matthieu Schapira, University of Toronto – Structural Genomics Consortium] 

Lunch Break

  • 1:10 – 2:00 PM

SESSION 3: Challenges in the Field Without AIRCHECK

  • 2:00 – 2:20 PM Drug Discovery with BioMedical Foundation Model [Speaker: Leili Zhang, IBM] 
  • 2:20 – 2:40 PM Foundation Models in Drug Discovery [Speaker: Oren Kraus, Recursion] 
  • 2:40 – 3:00 PM Challenges [Speaker: Chris Maddison, Vector Institute] 

Coffee/Tea Break

  • 3:00 – 3:15 PM

SESSION 4: New Initiatives: Network and Platform

  • 3:15 – 3:30 PM MAINFRAME Network [Speaker: Albert Antolin Hernandez, IDIBELL – Structural Genomics Consortium] 
  • 3:30 – 3:45 PM Introduction to the AIRCHECK Platform [Speaker: Benjamin Haibe-Kains, University Health Network – Structural Genomics Consortium]
  • 3:45 – 3:55 PM AIRCHECK Short Demo [Speaker: Shaghayegh Reza, University of Toronto – Structural Genomics Consortium] 

CLOSING REMARKS

  • 3:55 – 4:00 PM Closing Remarks  [Speaker: Benjamin Haibe-Kains, University Health Network – Structural Genomics Consortium]

 

 

DAY 2 – April 10, 2025

INTRODUCTION

  • 10:00 – 10:05 AM Welcome [Speaker: Benjamin Haibe-Kains, University Health Network – Structural Genomics Consortium]

AIRCHECK Hands-On SESSION

  • 10:05 – 10:30 AM Technical presentation of the AIRCHECK platform [Speakers: Nabin Bagale and Shaghayegh Reza, University of Toronto – Structural Genomics Consortium] 
  • 10:30 – 11:15 AM Download and subset DEL and ASMS data
  • 11:15 – 11:45 AM Example of Machine Learning Model From DEL data [Speaker: James Wellnitz, University of North Carolina – Structural Genomics Consortium]
  • 11:45 AM – 12:30 PM Running baseline machine learning model on GCP 

Lunch Break

  • 12:30 – 1:15 PM

AIRCHECK Mini Challenge

  • 1:15 – 1:40 PM Introduction to the AIRCHECK Mini Challenge and Benchmark [Speakers: Shaghayegh Reza and James, UofT – Structural Genomics Consortium] 
  • 1:40 – 3:30 PM ML/AI modelling 
  • 3:30 – 3:50 PM Feedback and discussion

CLOSING REMARKS

  • 3:50 – 4 PM Closing Remarks  [Speaker: Benjamin Haibe-Kains, UHN – Structural Genomics Consortium]

Who Should Join? 

The AIRCHECK Hackathon offers a unique opportunity to collaborate with experts and enthusiasts across various fields such as hit discovery, data analysis, machine learning, and more. You will work in a collaborative group with diverse expertise and receive guidance to contribute to your area of strength while learning from others along the way. 

If you have any of the following skills or interests, join us!

  • Hit Discovery 
  • Chemistry 
  • Data Analysis 
  • Python Programming 
  • Machine Learning 
  • Google Cloud Platform (GCP) 

Please note that all participants must bring their personal computers to engage in hands-on coding and model training activities.

We have compiled a list of recommended hotels, all conveniently located within walking distance of the venue.

The Omni King Edward Hotel (1min walk)

One King West Hotel & Residence (2min walk)

Hotel Victoria (4min walk)

Executive Hotel Cosmopolitan Toronto (3min walk)

Novotel Toronto Centre (7min walk) 

Fairmont Royal York (12min walk) 

Hilton Toronto (15min walk)

Individuals wishing to attend the meeting must register online. Registration will not be processed without full payment. All registrations will be confirmed by email immediately. Receipts can also be obtained online.

Registration for in-person attendance

In-person registration includes admission to all sessions, the AIRCHECK Hackathon and the opening reception on April 9, 2025, meeting continental breakfasts on April 9-10, and refreshment breaks as outlined in the program. Individuals unable to travel to Toronto for this meeting should review the information for virtual attendance below.

Please note that in-person spots are limited so secure your spot by registering today!

Registration for virtual attendance

Online registration will provide access to all sessions (synchronized slides and audio) on April 9, 2025. 

*Note: Virtual attendance will only give you access to the first day of the AIRCHECK Workshop and you won't be able to attend the AIRCHECK Hackathon on April 10, 2025.

Refund Policy

Refund requests may be sent to communications@thesgc.com. There will be a $35 administrative fee for processing cancellations received by Friday, March 28. After this date, no refunds can be given.

    FAQ

  • What is MAINFRAME?

  • Is this workshop only for MAINFRAME members?

  • In person vs virtual attendance

MAINFRAME is an international network of machine learning scientists and computational chemists, dedicated to advancing pre-competitive drug discovery research. Members of MAINFRAME focus on developing open-source algorithms and predictive machine learning models of chemical bioactivity. 

By joining MAINFRAME, you will get priority access to future workshops, hackathons, and collaborations within the MAINFRAME network. While membership is not required for the AIRCHECK Workshop, we encourage you to join the network and be able to access high-quality data months before their public release. The AIRCHECK Hackathon will serve as a preview to this exclusive benefit of AIRCHECK members.

Learn more about MAINFRAME: https://www.aircheck.ai/mainframe 

Is this workshop only for MAINFRAME members? 

No, the AIRCHECK Workshop is open to all. However, future events will be available only to MAINFRAME members so don't miss this unique opportunity to get a sneak peek of all the exclusive benefits of the MAINFRAME membership.

The AIRCHECK Workshop will be a hybrid event. However, only attendees who have an in-person registration will be able to attend the AIRCHECK Hackathon.