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Machine Learning for Drug Discovery

Monday, June 30, 2025 - fully remote

In an era marked by remarkable strides in science and technology, drug discovery remains an increasingly formidable endeavor. Historically low success rates in developing new therapeutics, compounded by a steady decline in productivity, pose significant challenges. Over the past decade, the machine learning (ML) community has shown growing interest and embarked on pioneering work, yet many of these efforts remain nascent.

MLDD aims to bring together ML for drug discovery experts, innovators, and enthusiasts from the machine learning, biotechnology and drug discovery domains to converge, exchange ideas, and forge new paths in revolutionizing therapeutic development.

The event is open for all in the community kindly sponsored by GSK plc. See you there!

Keynotes

Picture of Charlotte Bunne
Charlotte Bunne
EPFL
Picture of John Chodera
John Chodera
Achira / MSKCC
Picture of Kexin Huang
Kexin Huang
Stanford University
Picture of Jacob Kimmel
Jacob Kimmel
NewLimit
Picture of Marinka Zitnik
Marinka Zitnik
Harvard University

Schedule

All times UK local time (GMT+1)

Time Title Presenter
12.45 - 13.00 Opening remarks and introduction MLDD organisers
13.00 - 13.54 Presentation and Q&A Charlotte Bunne (EPFL)
13.45 - 14.30 Presentation and Q&A Marinka Zitnik (Harvard University)
14.30 - 15.15 Presentation and Q&A John Chodera (Achira, MSKCC)
15.15 - 15.30 Break All
15.30 - 16.15 Presentation and Q&A Kexin Huang (Stanford University)
16.15 - 17.00 Presentation and Q&A Jacob Kimmel (NewLimit)
17.00 - 17.30 Closing remarks and survey results MLDD organisers

How to attend?

The event will be held fully remote/online this year. Anyone is welcome to call in.

The video stream can be accessed on Youtube here on the day of the event.

Annual MLDD community survey

Are we close to Bio-AGI? What is the most promising research direction in ML for drug discovery?

This year we will - for the first time - run a MLDD community survey to answer these and many other questions reflecting the current feeling of those in the field. Survey results will be discussed at the event.

Please record your response before the event at this link.

Organizing team

Picture of Stefan Bauer
Stefan Bauer
Helmholtz AI, TU Munich
Picture of Florian Klimm
Florian Klimm
Novo Nordisk
Picture of Arash Mehrjou
Arash Mehrjou
GSK
Picture of Marcel Hedman
Marcel Hedman
Oxford University
Picture of Pascal Notin
Pascal Notin
Harvard University
Picture of Patrick Schwab
Patrick Schwab
GSK
Picture of Martino Mansoldo
Martino Mansoldo
GSK
Picture of Mathieu Chevalley
Mathieu Chevalley
ETH Zurich
Picture of Francesco Quinzan
Francesco Quinzan
Oxford University

See you at the event!