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https://www.gov.uk/government/organisations/science-and-technology-facilities-council
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Showing all 63 active repositories, sorted by stars
PSyclone is a source-to-source Fortran compiler designed to programmatically optimise, parallelise and instrument HPC applications via user-provided transformation scripts.
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 fparser1 is also available but is not supported. The parsers were originally part of the f2py project by Pearu Peterson.
Tools for machine learnt interatomic potentials
machine learning interatomic potentials aiida plugin
PAM module OAuth2 Device flow
Show when an IP address was last seen, and its actual reverse DNS record in Netbox
Various benchmarks used to inform PSyclone optimisations
Scripts and Utilities for querying and updating information in Netbox
MCP-server exposing ML models for prediction of kpoints distance / kpoints grid for SCF DFT calculations trained on QE data for 3D crystalline inorganic materials
alc ux project
DL_PY2F: A library for Python-Fortran interoperability
Data and codes used in Boy et al. (2025) - Quantum molecular structure encoding
Goldilocks is an app https://goldilocks.streamlit.app/ for generation of input file for pw.x QE calculation (ML prediction of k-points is the main feature)
Contains pre-set Cluster API values optimised for STFC Cloud deployments
Fork of ws4e's fork of dag's original codebase with additional patches trimmed down for use by STFC RAL Tier-1
An AiiDAlab plugin for ChemShell based workflows
Custom pre-commit hooks for use within our projects
A catch-all repo for utilities used by the STFC Openstack Cloud
A collection of charts and values deployed on STFC Cloud Clusters
A Repository for storing helm charts created for the STFC Cloud
Repo for "Fundamentals of Cloud Computing: Introduction to Docker and GitHub Actions for ML apps" Explain course
LFRic Infrastructure
A code to compute various dynamical correlation functions from MD trajectories of (non-)reactive systems, whose sizes are compatible with DFT. See a more detailed description in the README.md file
simple tools to merge simulations and exafs simulations, heavy dependent on xraylarch
ML models to predict k-point distance for goldilocks project
An AiiDA plugin for the ChemShell multiscale computational chemistry software package.
A GPU Monitoring and Carbon Calculation Tool for Benchmarks
Example configuration repository for Azimuth deployments.
automation for HV migration
A Python Package to better search for Openstack Resources.
A bespoke pack for SCD Cloud containing elements for managing Openstack and supporting infrastructure
Builders for various cloud images
This repository contains all information related to data generation and training models for Goldilocks
LFRic Applications
GitHub action to check version.txt files are updated correctly.
Grafana Dashboards for the STFC Cloud
Goldilocks convergence tools and best practices for numerical approximations in Density Functional Theory calculations
This program performs post-processing of EQCM data to the purpose of electrochemical characterization and building of atomistic models compatible with experiments.
Spack's community package recipes
Batree: An MFEM-based SPM, SPMe and P2D solver
A set of training docs and code used for cloud workshops and training
Collect xrootd monitoring and send to Elasticsearch
Standalone tracer advection benchmark from NEMO with 3D array and 1D array versions.
Repository to store configuration for Kafka, MM2, etc. for the LSST DRP.
A collection of random hacks associated with certificates and/or crypto