Owner

stfc

24 indexed repositories · View on GitHub

PSyclone
PSyclone is a source-to-source Fortran compiler designed to programmatically optimise, parallelise and instrument HPC applications via us...

Python · 137 stars
janus-core
Tools for machine learnt interatomic potentials

Python · 51 stars
netbox-to-librenms
A script to pull devices from Netbox into LibreNMS

Python · 35 stars
aiida-mlip
machine learning interatomic potentials aiida plugin

Python · 26 stars
PSycloneBench
Various benchmarks used to inform PSyclone optimisations

Fortran · 7 stars
Netbox-utils
Scripts and Utilities for querying and updating information in Netbox

Python · 5 stars
goldilocks
Goldilocks is an app https://goldilocks.streamlit.app/ for generation of input file for pw.x QE calculation (ML prediction of k-points is...

Python · 4 stars
dl_py2f
DL_PY2F: A library for Python-Fortran interoperability

Python · 4 stars
alc-ux
alc ux project

Python · 3 stars
quantum-molecular-encodings
Data and codes used in Boy et al. (2025) - Quantum molecular structure encoding

Jupyter Notebook · 3 stars
aiidalab-chemshell
An AiiDAlab plugin for ChemShell based workflows

Python · 2 stars
dl_py2f-example

Fortran · 1 star
CAPortal

Java · 1 star
goldilocks-ml
ML training and evaluation protocols and models for Goldilocks: k-point prediction, metallicity classification and more.

Python · 1 star
goldilocks-core
Goldilocks convergence tools and best practices for numerical approximations in Density Functional Theory calculations

Python · 1 star
alc-dls-exafs
simple tools to merge simulations and exafs simulations, heavy dependent on xraylarch

Python · 1 star
zfs-periodic-snapshots
Tools for generating accessible ZFS snapshots for serving immutable data

PHP · 0 stars
ral-htcondor-tools
Scripts and stuff used with HTCondor at RAL

Shell · 0 stars
cloud-grafana-dashboards
Grafana Dashboards for the STFC Cloud

0 stars
CertWizard
UKCA CertWizard certificate management client

Java · 0 stars
4 more repositories live on View on GitHub

Beginner friendly Everything

Open All

examples shall have a separate ci Open

Difficulty 4/5 3-5 days Newbie friendliness 30/100

stfc/aiida-mlip#277 · Opened Sep 19, 2026
Disable fstrim.timer on ubuntu 26.04 images ? Open

enhancement

Difficulty 4/5 3-5 days Newbie friendliness 45/100

stfc/cloud-image-builders#220 · Opened Sep 18, 2026
rsyslog service has a misconfigured working directory - ubuntu 26.04 Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 55/100

stfc/cloud-image-builders#219 · Opened Sep 18, 2026
Make Default keybaord "gb" rather than US on Ubuntu 26.04 console Open

enhancement

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

stfc/cloud-image-builders#218 · Opened Sep 18, 2026
Improve loop order for LFRic-UM layout data copies in physics interface Open

stfc/PSyclone#3609 · 2 comments · 1 assignee · Opened Sep 17, 2026
Implicitly-declared procedures are not caught by compilation tests Open

Difficulty 3/5 1-2 days Newbie friendliness 52/100

stfc/PSyclone#3608 · 1 comment · Opened Sep 17, 2026
Nightly release missed the 2026-09-17 schedule again Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

stfc/goldilocks-core#216 · 2 comments · Opened Sep 17, 2026
Remove wildcard imports for the LFRic kind symbols in tests Open

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

stfc/PSyclone#3602 · 1 comment · Opened Sep 15, 2026
Sudo config error Open

bug OS Images

Difficulty 2/5 1-3 hours Newbie friendliness 65/100

stfc/cloud-image-builders#211 · 1 comment · Opened Sep 15, 2026
LFRic on GPU next steps Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

stfc/PSyclone#3601 · Opened Sep 14, 2026
docs(deposits): state that deposits/ mirrors PSDI's latest version Open

Difficulty 1/5 Under an hour Newbie friendliness 92/100

stfc/goldilocks-ml#77 · Opened Sep 11, 2026
Audit SymbolTable implementation Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

stfc/PSyclone#3598 · Opened Sep 11, 2026
analysis: a force-convergence dataset, and the criterion it publishes Open

enhancement

Difficulty 5/5 Over a week Newbie friendliness 35/100

stfc/goldilocks-data#53 · Opened Sep 11, 2026
Use is_read/is_write in the DUC to ensure consistency Open

Difficulty 4/5 3-5 days Newbie friendliness 45/100

stfc/PSyclone#3597 · Opened Sep 11, 2026
Potential bug in extraction using structures Open

Difficulty 3/5 1-2 days Newbie friendliness 68/100

stfc/PSyclone#3592 · Opened Sep 10, 2026
Sympy does a large number of imports which can be a problem in a slow file systems Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

stfc/PSyclone#3591 · 2 comments · Opened Sep 9, 2026
LoopFuseTrans (and subclasses) my not work correctly with TransformationDocumentationWrapper Open

Difficulty 3/5 1-2 days Newbie friendliness 45/100

stfc/PSyclone#3590 · Opened Sep 9, 2026
DB locale mismatch September is `Sept` in en_UK instead of `Sep` Open

Difficulty 3/5 1-2 days Newbie friendliness 55/100

stfc/CAPortal#207 · Opened Sep 9, 2026
LFric kernel extraction writes read-only fields as output fields Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

stfc/PSyclone#3588 · 10 comments · Opened Sep 8, 2026
kmesh: number the ladder from 1, matching goldilocks-data Open

core

Difficulty 3/5 1-2 days Newbie friendliness 68/100

stfc/goldilocks-core#186 · Opened Sep 7, 2026
feat(k-index): publish the median rung instead of q0.90 plus band offsets Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

stfc/goldilocks-ml#71 · Opened Sep 7, 2026
refactor(k-index): finish moving the rung ladder to 1-based Open

Difficulty 5/5 Over a week Newbie friendliness 30/100

stfc/goldilocks-ml#70 · 1 comment · Opened Sep 5, 2026
fix(k-index): the forest over-predicts by an order of magnitude on small cells Open

Difficulty 5/5 Over a week Newbie friendliness 45/100

stfc/goldilocks-ml#68 · 1 comment · Opened Sep 5, 2026
feat(k-index): screen un-labelled MC3D structures to target the dense-mesh tail Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

stfc/goldilocks-ml#64 · 4 comments · Opened Sep 5, 2026
feat(k-index): compare an ordinal decomposition against the released quantile forest Open

Difficulty 5/5 Over a week Newbie friendliness 38/100

stfc/goldilocks-ml#62 · 2 comments · Opened Sep 5, 2026
add fennol calcultor Open

enhancement

Difficulty 5/5 Over a week Newbie friendliness 30/100

stfc/janus-core#716 · Opened Sep 4, 2026
deps: resolve four Dependabot alerts in uv.lock (asyncssh, pymysql, paramiko) Open

dependencies

Difficulty 4/5 3-5 days Newbie friendliness 68/100

stfc/goldilocks-data#21 · Opened Sep 3, 2026
feat(evaluation): one metric set per target, shown side by side on the site Open

Difficulty 5/5 Over a week Newbie friendliness 45/100

stfc/goldilocks-ml#49 · 1 comment · Opened Sep 3, 2026
docs: navigation tabs, site logo, and footer links to the other ecosystem sites Open

documentation

Difficulty 4/5 3-5 days Newbie friendliness 48/100

stfc/goldilocks-data#15 · Opened Sep 3, 2026
ntpd.service does not exist on rocky-9-aq Open

bug OS Images

Difficulty 3/5 1-2 days Newbie friendliness 55/100

stfc/cloud-image-builders#205 · 2 comments · Opened Sep 2, 2026
fix(publish): default_preview is dropped because metadata is sent before the files Open

Difficulty 3/5 1-2 days Newbie friendliness 72/100

stfc/goldilocks-ml#39 · 1 comment · Opened Sep 2, 2026
docs(notebooks): execute the notebooks at build time instead of committing outputs Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

stfc/goldilocks-ml#36 · Opened Sep 2, 2026
docs(notebooks): make the notebooks runnable in Colab Open

Difficulty 4/5 3-5 days Newbie friendliness 52/100

stfc/goldilocks-ml#35 · Opened Sep 2, 2026
fix(generation): spin-polarised inputs start every moment at zero Open

bug core

Difficulty 5/5 Over a week Newbie friendliness 45/100

stfc/goldilocks-core#177 · Opened Sep 1, 2026
refactor(advice): inventory the structure-only heuristics standing in for models Open

architecture core ml

Difficulty 5/5 Over a week Newbie friendliness 35/100

stfc/goldilocks-core#175 · Opened Sep 1, 2026
Switch to University of Kent UK mirror service for Ubuntu respoitories Open

enhancement OS Images

Difficulty 3/5 1-2 days Newbie friendliness 65/100

stfc/cloud-image-builders#204 · Opened Sep 1, 2026
feat(artifacts): fetch the artifacts a protocol pins Open

enhancement

Difficulty 4/5 3-5 days Newbie friendliness 55/100

stfc/goldilocks-ml#20 · Opened Sep 1, 2026
Update Fab extraction scripts in IT Open

stfc/PSyclone#3576 · 1 assignee · Opened Sep 1, 2026
Avoid duplicated search paths in module manager Open

Difficulty 3/5 1-2 days Newbie friendliness 52/100

stfc/PSyclone#3575 · 1 comment · Opened Sep 1, 2026
refactor(ml): move inference behind a ModelPrediction seam Open

architecture core ml

Difficulty 5/5 Over a week Newbie friendliness 28/100

stfc/goldilocks-core#174 · 4 comments · Opened Aug 28, 2026
Release 3.4.0 Open

Release

stfc/PSyclone#3569 · 7 assignees · Opened Aug 26, 2026
rename_images.sh doesn't work on dev for aq images Open

bug OS Images

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

stfc/cloud-image-builders#200 · Opened Aug 25, 2026
add tace/tece support Open

enhancement

Difficulty 3/5 1-2 days Newbie friendliness 45/100

stfc/janus-core#714 · Opened Aug 14, 2026
Definition Use chains have some confusing implementation when looking backwards at the RHS of an assignment. Open

Difficulty 4/5 3-5 days Newbie friendliness 42/100

stfc/PSyclone#3552 · Opened Aug 11, 2026
research(pseudo): validate the PseudoDojo ecutrho dual with convergence tests Open

pseudopotentials

Difficulty 5/5 Over a week Newbie friendliness 42/100

stfc/goldilocks-core#149 · Opened Aug 10, 2026
perf: lazy import goldilocks_core (defer ml.* / scipy) Open

Difficulty 2/5 1-3 hours Newbie friendliness 78/100

stfc/goldilocks-core#134 · Opened Aug 7, 2026
feat(analysis): goldilocks-side dimensionality classification (don't depend on CrystalNN) Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

stfc/goldilocks-core#133 · Opened Aug 7, 2026
feat(core): emit Quantum ESPRESSO inputs via ASE Open

architecture core epic:m2 refactor

Difficulty 5/5 Over a week Newbie friendliness 42/100

stfc/goldilocks-core#129 · Opened Aug 6, 2026
feat(analysis): initial database analysis workflows Open

enhancement

Difficulty 5/5 Over a week Newbie friendliness 25/100

stfc/goldilocks-data#2 · Opened Aug 6, 2026
feat(protocol): reproducible QE SCF data generation protocol Open

enhancement

Difficulty 5/5 Over a week Newbie friendliness 25/100

stfc/goldilocks-data#1 · Opened Aug 6, 2026

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