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@stfc UKRI Science and Technology Facilities Council

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    232 repositories

    • cloud-image-builders

      Public
      Builders for various cloud images
      Perl
      •
      GNU General Public License v3.0
      •2•0•5•5•Updated Sep 14, 2026Sep 14, 2026

    • goldilocks-core

      Public
      Goldilocks convergence tools and best practices for numerical approximations in Density Functional Theory calculations
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•1•8•2•Updated Sep 14, 2026Sep 14, 2026

    • cloud-deployed-apps

      Public
      A collection of charts and values deployed on STFC Cloud Clusters
      Shell
      •
      GNU General Public License v3.0
      •7•1•0•1•Updated Sep 14, 2026Sep 14, 2026

    • cloud-helm-charts

      Public
      A Repository for storing helm charts created for the STFC Cloud
      Go Template
      •
      Apache License 2.0
      •4•1•0•10•Updated Sep 14, 2026Sep 14, 2026

    • st2-cloud-pack

      Public
      A bespoke pack for SCD Cloud containing elements for managing Openstack and supporting infrastructure
      Python
      •
      GNU General Public License v3.0
      •5•0•12•4•Updated Sep 14, 2026Sep 14, 2026

    • PSyclone

      Public
      PSyclone is a source-to-source Fortran compiler designed to programmatically optimise, parallelise and instrument HPC applications via user-provided transformat…
      pythoncompilerfortran
      pythoncompilerfortranoptimizationparallel-computinghigh-performance-computingfinite-elementsfinite-differencefinite-volumehacktoberfest
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •36•137•675•34•Updated Sep 14, 2026Sep 14, 2026

    • qrmi

      Public
      Thin and vendor agnostic layer to access, control and monitor underlying on-prem or cloud quantum computers
      Rust
      •
      Apache License 2.0
      •39•0•0•0•Updated Sep 14, 2026Sep 14, 2026

    • iris-bench

      Public
      A GPU Monitoring and Carbon Calculation Tool for Benchmarks
      Python
      •0•1•0•3•Updated Sep 14, 2026Sep 14, 2026

    • goldilocks-ml

      Public
      ML training and evaluation protocols and models for Goldilocks: k-point prediction, metallicity classification and more.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•1•11•0•Updated Sep 13, 2026Sep 13, 2026

    • aiida-chemshell

      Public
      An AiiDA plugin for the ChemShell multiscale computational chemistry software package.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •4•1•0•0•Updated Sep 11, 2026Sep 11, 2026

    • alc-aiidalab-widgets

      Public
      Commonly used components for ALC managed AiiDAlab plugins
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•5•1•Updated Sep 11, 2026Sep 11, 2026

    • aiidalab-chemshell

      Public
      An AiiDAlab plugin for ChemShell based workflows
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•2•6•0•Updated Sep 11, 2026Sep 11, 2026

    • alc-dls-exafs

      Public
      simple tools to merge simulations and exafs simulations, heavy dependent on xraylarch
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•1•11•6•Updated Sep 11, 2026Sep 11, 2026

    • goldilocks-data

      Public
      Python
      •1•0•5•0•Updated Sep 11, 2026Sep 11, 2026

    • aiida-mlip

      Public
      machine learning interatomic potentials aiida plugin
      machine-learningworkflowsmlips
      machine-learningworkflowsmlipsmachine-learning-interatomic-potentials
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •13•26•64•7•Updated Sep 11, 2026Sep 11, 2026

    • CertWizard

      Public
      UKCA CertWizard certificate management client
      Java
      •
      GNU General Public License v2.0
      •1•0•1•5•Updated Sep 10, 2026Sep 10, 2026

    • cloud-docker-images

      Public
      Python
      •6•2•0•8•Updated Sep 10, 2026Sep 10, 2026

    • Batree

      Public
      Batree: An MFEM-based SPM, SPMe and P2D solver
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•2•Updated Sep 10, 2026Sep 10, 2026

    • cloud-capi-values

      Public
      Contains pre-set Cluster API values optimised for STFC Cloud deployments
      Shell
      •6•2•0•1•Updated Sep 9, 2026Sep 9, 2026

    • SCD-OpenStack-Utils

      Public
      A catch-all repo for utilities used by the STFC Openstack Cloud
      Python
      •
      Apache License 2.0
      •12•1•0•5•Updated Sep 9, 2026Sep 9, 2026

    • qiskit-machine-learning

      Public
      Quantum Machine Learning
      Python
      •
      Apache License 2.0
      •450•0•0•1•Updated Sep 9, 2026Sep 9, 2026

    • cloud-azimuth-config

      Public
      Example configuration repository for Azimuth deployments.
      Shell
      •
      Apache License 2.0
      •16•1•0•2•Updated Sep 7, 2026Sep 7, 2026

    • aiida-alc-ins

      Public
      Prototype AiiDA plugin using PythonJob to interface with Phonon/INS packages
      Python
      •
      GNU General Public License v3.0
      •0•0•1•3•Updated Sep 4, 2026Sep 4, 2026

    • cloud-grafana-dashboards

      Public
      Grafana Dashboards for the STFC Cloud
      2•0•1•1•Updated Sep 3, 2026Sep 3, 2026

    • xrootd

      Public
      The XRootD central repository
      C++
      •
      Other
      •173•0•0•16•Updated Sep 2, 2026Sep 2, 2026

    • cloud-gatus-status

      Public
      Shell
      •1•0•0•1•Updated Sep 2, 2026Sep 2, 2026

    • aiida-feff

      Public
      AiiDA plugin for running EXAFS calculations using FEFF.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•6•Updated Sep 1, 2026Sep 1, 2026

    • quantum-molecular-encodings

      Public
      Data and codes used in Boy et al. (2025) - Quantum molecular structure encoding
      molecular-structuresquantum-computingquantum-machine-learning
      molecular-structuresquantum-computingquantum-machine-learningmolecular-representationencoding-algorithms
      Jupyter Notebook
      •
      Apache License 2.0
      •1•3•1•4•Updated Sep 1, 2026Sep 1, 2026

    • fparser

      Public
      This project maintains and develops a Fortran parser called fparser2 written purely in Python which supports Fortran 2003 and some Fortran 2008. A legacy parser…
      pythonparsingfortran
      pythonparsingfortran
      Python
      •
      Other
      •45•73•96•1•Updated Sep 1, 2026Sep 1, 2026

    • goldilocks_kpoints

      Public
      ML models to predict k-point distance for goldilocks project
      Jupyter Notebook
      •
      Other
      •1•1•0•14•Updated Aug 28, 2026Aug 28, 2026
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