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MoML 2025

The 2025 Molecular Machine Learning Conference

June 18th, 2025

At Mila

Presented by

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Our Mission

This conference brings together students, experts, and leaders across areas with the goal of advancing how machine learning methods can address key scientific goals related to molecular modeling, molecular interactions, and  therapeutic design. The conference provides an open and lively place to discuss, learn, and innovate, for students and experts alike. 

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Meet our


Speakers

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Smita Krishnaswamy

Associate Professor of Genetics and

of Computer Science, Yale

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Kirill Neklyudov

Assistant Professor, Mila

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Gabriele Corso

Massachusetts Institute


of Technology

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Emmanuel Noutahi

Principal Scientist, Valence Labs

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Aaron Newman

Associate Professor, Stanford University.

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Michael LeVine

Director of Computational Biophysics, Genesis Therapeutics

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Nick Myerberg

Partner, Braidwell

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MoML at a Glance

Recapping MoML 2024

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In Memoriam
Octavian-Eugen Ganea

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.

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Conference Topics

ML for Quantum Chemistry

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Molecule/Protein

3D Structure Prediction

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Molecular

Graph ML

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Molecular Dynamics Simulations 

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Modeling Molecular Interactions

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Geometric ML
for Molecules

Conference Agenda

Interested in Presenting a

Poster? Submit Your

Application Now!

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Watch the talks from last year

MoML 2024: Opening Remarks

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Dominique Beaini & Jonathan Hsu

MoML 2024

This is a recording from the 2024 Molecular Machine Learning conference hosted at Mila.

Towards Rational


Drug Design

with AlphaFold 3

 

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Max Jaderberg

Towards Rational
Drug Design

with AlphaFold 3. Speaker: Max Jaderberg

Polaris: Industry-Led Initiative to Critically

Assess ML for Real-World

Drug Discovery.

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 Cas Wognum

Polaris: Industry-Led Initiative

to Critically Assess ML for Real-World Drug Discovery. Speaker: Cas Wognum

Leveraging Molecular ML + Property Prediction


 

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Raquel Rodríguez-Pérez

Leveraging Molecular ML + Property Prediction in Drug Design

This is a recording from the 2024 Molecular Machine Learning conference hosted at Mila.

Geometric Deep Learning for Protein Understanding

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Jian Tang

Geometric Deep Learning for Protein Understanding

This is a recording from the 2024 Molecular Machine Learning conference hosted at Mila.

Watch full

playlist

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Want More Info on

Future Events?

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