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diff --git a/images/activities/Computational Structural Biology Roadmap.png b/images/activities/Computational Structural Biology Roadmap.png new file mode 100644 index 0000000..bffdfd5 Binary files /dev/null and b/images/activities/Computational Structural Biology Roadmap.png differ diff --git a/index.md b/index.md index 867a8bf..b46c1aa 100644 --- a/index.md +++ b/index.md @@ -8,6 +8,8 @@ toc: false tiles: - title: "Join the conversation" url: /join_conversation + - title: "Read the Australian infrastructure roadmap" + url: https://doi.org/10.5281/zenodo.15786982 --- diff --git a/pages/activities/infrastructure_roadmap.md b/pages/activities/infrastructure_roadmap.md index 1ad3c78..c9efa01 100644 --- a/pages/activities/infrastructure_roadmap.md +++ b/pages/activities/infrastructure_roadmap.md @@ -1,15 +1,65 @@ --- title: Infrastructure Roadmap description: Draft and publish an Australian infrastructure roadmap for addressing computational challenges facing structural biology. -type: activity_in_progress +type: activity_completed roadmap: Community co-authored document roadmap_category: none toc: false --- -## Details +## Citation + +> Michie, K. A., Litfin, T., Beecroft, S. J., Collins, B., Czabotar, P., Downton, M., Doyle, M. T., Ghosal, D., Grinter, R., Knott, G. J., Samaha, G., Christiansen, J. H., & Gustafsson, O. J. R. (2025). Australian Structural Biology Deep-Learning Infrastructure Roadmap. Zenodo. [https://doi.org/10.5281/zenodo.15786982](https://doi.org/10.5281/zenodo.15786982) + + +## Executive Summary from roadmap + +Enabled by advances in deep learning methods for protein structure prediction and de novo protein +design, computational structural biology has rapidly emerged as a powerful technology driving innovation +in both fundamental and translational science. The technology underpins breakthroughs in drug design, +diagnostics, personalised medicine, and synthetic biology. However, effective use requires concentrated +interdisciplinary expertise and access to modern graphics processing unit (GPU) hardware that few +Australian researchers or industry can sustain. +The Australian structural biology community has taken a collaborative approach to develop this +infrastructure roadmap which describes the existing national landscape, identifies and prioritizes critical +research bottlenecks, and proposes a national strategy to unlock the immense potential of computational +structural biology for Australian researchers. This strategy is intended to evolve as the requirements of +the community change. The roadmap outlines the challenges faced but also presents opportunities to +maximize the value of this new technology. A robust, sovereign capability in computational structural +biology and protein design will position Australian universities, research institutes, and industry at the +forefront of global innovation. + +The community roadmap outlines 4 major deliverables including: + +- **D1. A dedicated community space** to foster collaboration and share best-practice +recommendations for software deployments, benchmarking, validations and insights developed +within the community. +- **D2. Community training resources** to on-board diverse stakeholders within the context of +computational structural biology and strengthen the national impact of community expertise. +- **D3. National computational infrastructure** built on increased hardware investment and a +user platform to facilitate efficient, high-throughput utilization of national computing resources +and drive translational outcomes enabled by curated and validated computational structural +biology technologies. +- **D4. Alignment, integration and engagement with global best-practice efforts** for +computational structural biology infrastructure and research. + +Achieving these outcomes will not only enable the community to add value across diverse research +disciplines within Australia, but will drive innovation and enhance the national research and enterprise +profile in medicine and biotechnology on the global stage. + + +{% include image.html file="/activities/Computational Structural Biology Roadmap.png" caption="Roadmap Figure 3. Proposed infrastructure to support Australian structural biology computation: (D1) Australian Structural +Biology community space. (D2) Tailored training program connects the proposed infrastructure to the +BioCommons training program and includes community generated guidance material. (D3) Shared platform, or +platforms, for computational structural biology. Protein sequences, or other relevant sequence data (e.g. +nucleotide), as well as code, are inputs into the envisaged hypothetical shared platform for computational +structural biology analyses, which provides both command-line interface (CLI) or graphical user interface +(GUI)-based access to validated software tools and workflows. This system is underpinned by sufficient and +appropriate computational infrastructure. (D4) Alignment to international best practice highlights the aim to align, +adopt and collaborate with international peer infrastructures to deliver the proposed infrastructure. Arrows +indicate the general flow of data. See Appendix 1 for a list of open source tools / workflows that may be +included in D3. Globe image: Clker-Free-Vector-Images, CC0, via Wikimedia Commons." alt="Roadmap Figure 3" max-width="10" %} -The infrastructure roadmap document describes the existing national landscape, identifies and prioritizes critical research bottlenecks, and proposes a national strategy to unlock the immense potential of computational structural biology for Australian researchers. ### Completed @@ -18,15 +68,10 @@ The infrastructure roadmap document describes the existing national landscape, i - Review and updates based on feedback from co-authors and academic panel. - Review and updates based on feedback from community and BioCommons infrastructure partners. - Review and updates based on feedback from international experts. - -### In Progress - - Addressing final review comments. - -### Future - - Publication to Zenodo. + ### Contributors - Australian Structural Biology Computing Community