
MAINFRAME Symposium on AI-Driven Small-Molecule Drug Discovery
Welcome to MAINFRAME Symposium on AI-Driven Small-Molecule Drug Discovery
We invite you to join us in the inaugural MAINFRAME Symposium at Ateneu Barcelonès in Barcelona. The two-day in-person symposium will bring together the global community working at the intersection of artificial intelligence, computational chemistry, and small-molecule drug discovery.

Organized by the Vall d’Hebron Institute of Oncology (VHIO), the Barcelona Supercomputing Center (BSC), the Institute of Research in Biomedicine (IRB), Conscience, and the Structural Genomics Consortium (SGC), together with Target 2035, the symposium builds on a major international initiative to generate ultra-large-scale open screening data for more than 2,000 human proteins, aiming to boost AI approaches for proteome-wide hit finding to ultimately identify a small molecule for every human protein.

In order to open the dialogue with the whole community, posters and selected talks from submitted abstracts are central to the symposium.
Approximately half of the speaking slots will be selected from submitted abstracts, ensuring strong representation from trainees and early-career researchers alongside established leaders.

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.
Frequently Asked Questions
Find quick answers to common questions about the conference.
Head over to our registration page, and complete the online form. Select your ticket type, provide the required information, and submit payment to secure your spot.
Individuals wishing to attend the symposium must register online. Registration will not be processed without full payment and no onsite registration will take place. All registrations will be confirmed by email immediately. Receipts can also be obtained online.
In-person registration includes admission to all sessions, and the opening reception on March 18, 2026, meeting continental breakfasts on March 18-19, and refreshment breaks as outlined in the program.
There will be no online registration for this symposium.
Refund requests may be sent to communications@thesgc.org. There will be a €15 administrative fee for processing cancellations received by Friday, March 6. After this date, no refunds can be given.
No, the Symposium 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.
Location
Ateneu Barcelonès
6 Carrer de la Canuda
Barcelona, Catalunya
Spain, 08002
Dates
Registration period:
December 22, 2025 - 5:02 AM CET - March 6, 2026 - 5:00 PM CET
Submission period:
December 22, 2025 - 5:02 AM CET - February 14, 2026 - 2:00 AM CET
Contact us
If you have any questions, please contact communications@thesgc.org





