Our Mission
The Molecular Machine Learning Conference is a biannual gathering of researchers across academia and industry who share the goal of advancing how machine learning methods can address key scientific goals related to molecular modeling, molecular interactions, and more broadly therapeutic design. Through a combination of engaging talks and poster presentations, conference provides an open and lively place to discuss, learn, and innovate, for students and experts alike.
Areas of Focus
Machine learning for...
Biomolecules
Generative Models
Molecular Dynamics
Chemistry
Materials
2026 Speakers
2026 Diamond Sponsor
2026 Gold Sponsors
2026 Agenda
8:45 am — 9:25 am
Check-In
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9:25 am — 9:30 am
Opening Remarks
Regina Barzilay, MIT
9:35 am — 10:00 am
Keynote: Designing Binding: From Structure to Affinity, Across Proteins and Small Molecules
Saro Passaro, Boltz
10:00 am — 10:30 am
Session II
Andrea Bild, City of Hope
12:00 pm — 1:15 pm
Lunch break
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1:15 pm — 1:45 pm
Modeling protein dynamics with machine learning and molecular simulations
Cecilia Clementi, Free University of Berlin
1:45 pm — 2:15 pm
Session IV
Kaiyi Jiang
2:15 pm — 3:15 pm
Poster Session II
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3:15 pm — 3:45 pm
Experiment-guided generative models for protein structure and dynamics
Alex Bronstein, Institute of Science and Technology Austria
3:45 pm — 4:15 pm
Session VI
Mark Gerstein, Yale University
4:15 pm — 4:35 pm
Protein Autoregressive Modeling via Multiscale Structure Generation
Wesley Hsieh, ByteDance Seed
4:35 pm — 4:55 pm
Session VIII
Odin Zhang, University of Washington, Chinese University of Hong Kong
5:00 pm — 5:15 pm
Closing Remarks + Best Paper Award
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In Memoriam
1987 - 2022
The MoML Conference is organized in the name of Octavian-Eugen Ganea, whose scientific work and drive to help others closely exemplified the goals of this conference. To honor his life and his work, we award the Octavian-Eugen Ganea Prize for Best Paper every year.
