Co-located with NeurIPS 2025

Machine Learning inStructural Biology

Join leading researchers at the intersection of machine learning and structural biology and explore cutting-edge advances in predictive modelling and design of biological macromolecules.

December 6/7, 2025
Close to San Diego Convention Center
Call for Papers
Call for Papers
Submit your latest research at the intersection of ML and structural biology.

Key Topics

  • Prediction of biomolecular structures, complexes, and interactions
  • Design of or generative models for structure and/or sequence
  • Methods for structure determination / biophysics (Cryo-EM/ET, NMR, crystallography, single-molecule methods, etc.)
  • Conformational change, ensembles, and dynamics
  • Integration of biomolecular physics
  • Function and property prediction
  • Structural bioinformatics and systems biology
  • Therapeutic screening and design
  • Language models and other implicit representations of protein structure
  • Forward-looking position papers

Important Dates

Paper Submission:September 26, 2025 AoE
Notification of Acceptance:October 15, 2025

Submissions with open-sourced code, models, or datasets will be prioritized for spotlight talks, but all are eligible for poster presentation.

This workshop is non-archival; accepted papers may be shared on our website. Concurrent submissions and work-in-progress or position papers are welcome.

Invited Speakers

Hannah K. Wayment-Steele

Hannah K. Wayment-Steele

UW Madison

Biomolecular Dynamics

Sam Rodrigues

Sam Rodrigues

Future House

AI Agents

Bruno Correia

Bruno Correia

EPFL

Protein Design

Mile Sikic

Mile Sikic

Genome Institute of Singapore

Nucleic Acid Structure Prediction

Ellen Zhong

Ellen Zhong

Princeton University

Cryo-EM

Pratyush Tiwari

Pratyush Tiwari

University of Maryland, College Park

Molecular Simulation

Anastassia Vorobieva

Anastassia Vorobieva

VIB-VUB Center for Structural Biology

Protein Design

Our Sponsors

If you are interested in sponsoring MLSB please reach out via e-mail.

Stay Updated

Join our Google Group to receive the latest updates about MLSB 2025.

Join Google Group