diff --git a/_data/CONTRIBUTORS.yml b/_data/CONTRIBUTORS.yml index bd7ebbe..69932c5 100644 --- a/_data/CONTRIBUTORS.yml +++ b/_data/CONTRIBUTORS.yml @@ -154,4 +154,9 @@ Georgie Samaha: Farah Zaib Khan: affiliation: Scientific Business Analyst, The University of Melbourne, Australian BioCommons orcid: 0000-0002-6337-3037 - image_url: /images/contributors/Khan_F.jpeg \ No newline at end of file + image_url: /images/contributors/Khan_F.jpeg + +Sehrish Kanwal: + affiliation: Senior Research Fellow (Bioinformatics), The University of Melbourne + git: skanwal + orcid: https://orcid.org/0000-0002-5044-4692 \ No newline at end of file diff --git a/pages/activities/abacbs_workshop.md b/pages/activities/abacbs_workshop.md index 02525d1..363de8b 100644 --- a/pages/activities/abacbs_workshop.md +++ b/pages/activities/abacbs_workshop.md @@ -4,7 +4,7 @@ description: Leveraging peak Australian compute to enable workflows for predicti type: activity_in_progress roadmap: A computational structural biology training program (Roadmap D2) roadmap_category: D2 -contributors: [Johan Gustafsson, Ziad Al-Bkhetan, Thomas Litfin, Sarah Beecroft, Georgie Samaha, Mitchell O'Brien, Farah Zaib Khan] +contributors: [Johan Gustafsson, Ziad Al-Bkhetan, Thomas Litfin, Sarah Beecroft, Georgie Samaha, Mitchell O'Brien, Farah Zaib Khan, Sehrish Kanwal] toc: false redirect_from: /website/abacbs25_workshop --- diff --git a/pages/activities/nci_data_collections.md b/pages/activities/nci_data_collections.md index e29718f..ec2c51b 100644 --- a/pages/activities/nci_data_collections.md +++ b/pages/activities/nci_data_collections.md @@ -24,10 +24,11 @@ This activity aims to create a stable release of up-to-date reference data (with - Harmonize data across different structure prediction models (AlphaFold2, AlphaFold3, Boltz, ColabFold, HelixFold3, RosettaFold-AA). - NCI Data Collection expression of interest (Accepted). - Provision new NCI project for storage and data management. +- Populate structure prediction reference data in data collection project. +- Validate reference data collection. ### In Progress -- Populate structure prediction reference data in data collection project. +- Prepare metadata for data catalog ### Future -- Validate reference data collection - Mint DOI. \ No newline at end of file diff --git a/pages/activities/nfcore_proteinfold.md b/pages/activities/nfcore_proteinfold.md index cf11a67..f7c8c11 100644 --- a/pages/activities/nfcore_proteinfold.md +++ b/pages/activities/nfcore_proteinfold.md @@ -28,12 +28,13 @@ redirect_from: /website/nfcore_proteinfold - AlphaFold3 (BYO weights). - Add support for local MSA search for Boltz. - Add standardized reporting with visualisation. -- Add standard QC metrics to HTML report. +- Add standard QC metrics to HTML report (PAE, MSA coverage). - Add process labels to improve efficient use of infrastructure. - De-duplicate reference datasets across different methods. +- Add miniature reference databases for fast troubleshooting. +- Update documentation and metro-map. +- Test for release. ### In Progress -- Add minituare reference databases for fast troubleshooting. -- Update documentation and metro-map. -- Test for release. \ No newline at end of file +- Review workflow outputs for all modes. \ No newline at end of file diff --git a/pages/activities/nfcore_proteinfold_pawsey.md b/pages/activities/nfcore_proteinfold_pawsey.md index 2bb88b3..633513d 100644 --- a/pages/activities/nfcore_proteinfold_pawsey.md +++ b/pages/activities/nfcore_proteinfold_pawsey.md @@ -18,15 +18,15 @@ redirect_from: /website/nfcore_proteinfold_pawsey ### Completed - Build AMD compatible container for AlphaFold2. +- Build AMD compatible container for ColabFold. - Build AMD compatible container for Boltz-1. - Build AMD compatible container for ESMFold. +- Build AMD compatible container for Boltz-2. +- Adapt containers for compatibility with nf-core proteinfold. +- Test nfcore proteinfold workflow at Pawsey. ### In Progress -- Adapt containers for compatibility with nf-core proteinfold. -- Test nfcore proteinfold workflow at Pawsey. +- ProteinFold config optimized for Pawsey. ### Future - -- Build AMD compatible container for Boltz-2. -- ProteinFold config optimized for Pawsey. \ No newline at end of file