IUCr Computing School - Artificial Intelligence in Crystallography

Name: IUCr Computing School - Artificial Intelligence in Crystallography
Start: 2026-08-08T10:00:00Z
End: 2026-08-11T18:00:00Z
Location: University of Lethbridge Campus

University of Lethbridge Campus

August 8-11, 2026

Registration

Empowering Crystallographers to Build and Understand AI Models

Artificial Intelligence (AI) is rapidly transforming crystallographic research—from structure determination and data analysis to materials discovery. This school provides an in-depth, hands-on introduction to the principles and applications of AI in crystallography.

Unlike general tool-only workshops that focus on executing existing software, we aim to demystify the "black box," empowering you to build symmetry-aware and physics-informed architectures from the ground up. Whether you are a graduate student, a structural biologist, a beamline scientist, a theoretical crystallographer, a developer or a data scientist working with crystallography groups, you will gain the critical skills necessary to frame problems effectively, ensuring your research is innovative, transparent and reproducible.

Our curriculum bridges the gap between abstract machine learning concepts and practical application through a mix of plenary lectures and hands-on tutorials with curated datasets. You will master end-to-end workflows—from data preparation to model training and interpretation. Join us to develop the expertise needed to lead the next generation of data-driven structural science.

About this Event

The school is organized by the IUCr Commission on Crystallographic Computing as a satellite event ahead of the IUCr 2026 Congress, which will be held in Calgary from August 11^th to 18^th, 2026. Transportation will be provided from Lethbridge to the main Congress site in Calgary on August 11th, and from Calgary to Lethbridge on August 8th. The school is supported by the following IUCr Commissions:

IUCr Commission on Mathematical and Theoretical Crystallography, IUCr Commission on Crystallographic Teaching, IUCr Commission on Crystallography of Materials, IUCr Committee on Data, IUCr Commission on High Pressure

IUCr2026 Event Site

Registration

The registration fee of $550 CAD includes meals and transportation to Lethbridge and back to Calgary on the 11th. Due to limited spots, applicants will be considered only on a first-come, first-served basis.

To allow for maximum flexibility, accommodation is not included in the registration fee. However, the IUCr has generously provided financial support for early career participants. To apply by selecting that option in the registration form. Accommodation costs will be covered for selected applicants.

Accommodation

Participants are encouraged to book on-campus accommodation at Lux Hotel, which offers a range of affordable options, from 1-room to 4-room suites. Participants may share a suite with other participants or family members if travelling together. To book a suite, one participant should make the reservation for the entire unit and coordinate with their roommates. NOTE: The local organizers will facilitate check-ins for weekend arrivals. Participants may also arrange their own accommodation off-campus.

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Child Care Options

We recognize that access to reliable childcare is a critical factor for participants travelling with children. The following options are available:

Prerequisites

Participants must bring a laptop to run the tutorials. Cloud-based GPU resources will be available. WIFI connections via EDUROAM will be available. To get the most out of the hands-on tutorials and collaborative sprints, the following additional requirements are recommended:

Crystallography concepts.
Python Programming. If you are new to Python, please review Python Tutorial, Numpy Tutorial and Pandas Tutorial before the school.
Basic Math. Matrices, vectors, derivatives/gradients, etc.

Proudly Supported by Industry Leaders

We appreciate the generous support of our sponsors, who advance innovation in crystallography and help the next generation of researchers apply AI to challenges in drug discovery and materials science.

Equity, Diversity, Inclusion / Code of Conduct

Guided by the policies of the International Union of Crystallography (IUCr), we are committed to fostering a global community that exemplifies respect, integrity, and collegiality. The IUCr strives to achieve gender balance across all its institutions and activities, ensuring that its membership, leadership, and scientific activities reflect the diverse makeup of the international crystallographic community. This commitment extends to ensuring broad geographic representation and removing barriers to professional advancement for all groups. This school adopts the IUCr Code of Conduct to ensure a welcoming, inclusive and harassment-free environment where scientists worldwide can associate freely and participate in international cooperation without discrimination.