Metatensor Ecosystem Workshop

Jun 13, 2025, from 9:00 until 17:00, EPFL Lausanne

This is a MARVEL-wide "Metatensor Ecosystem Workshop", to be held on June 13, 2025 at the EPFL main campus. The workshop introduces the Metatensor ecosystem, an interoperable collection of software from COSMO developed in part for MARVEL Pillar 2. Metatensor addresses all the practical needs associated with atomistic machine learning (ML), from data storage and handling to model training with various ML architectures for a variety of learning targets.

The day-long workshop will first provide a general introduction to Metatensor and its related libraries in the morning, then break off into parallel sessions in the afternoon:

Draft program

Metatensor ecosystem workshop – June 13, 2025

09:00-12:00 General introduction to Metatensor and its related libraries

12:00-13:30 Lunch

13:30-17:00 Parallel sessions depending on the participants’ preferences:
(a) Diving into metatensor and metatomic architecture for ML model developers
(b) How to train your model (training custom models on custom datasets)
(c) Fine-tuning interatomic potentials to improve accuracy on your own data

While the event primarily targets past and present members of the MARVEL community, we are open to welcoming other researchers from the wider research community interested in attending (conditional on the remaining capacity).

If you are interested, please sign up below (Deadline : June 2)

https://docs.google.com/forms/d/1Uf_CdmgU96cFeN8YW-BWEuvPY_I7fiqD_-q9OphfNnA/viewform?edit_requested=true

Please direct any queries to the workshop organizers:

Sanggyu "Raymond" Chong <sanggyu.chong@epfl.ch>
Guillaume Fraux <guillaume.fraux@epfl.ch>

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