Hacktoberfest 2026: the issues maintainers tagged for October, open and beginner-friendly. Browse Hacktoberfest issues

ddmms/ml-peg

Sign in to follow View on GitHub

ML Performance and Extrapolation Guide (reference deployment https://ml-peg.stfc.ac.uk)

Is ddmms/ml-peg beginner-friendly?

In the last 30 days, ddmms/ml-peg merged 1 of 20 pull requests from outside contributors, and its maintainers usually reply within 1 day. 1 beginner-friendly issue is open now.

Stars
69
Forks
68
Open beginner issues
1
Indexed issues
158
Avg merge
3d 23h
Merged PRs (30d)
23
Dominant language
Python
License
GPL-3.0
Last GitHub push
Oct 14, 2026
Latest indexed
Oct 15, 2026
Contributing guide
No code of conduct
Beginner labels
good first issue

How to contribute to ddmms/ml-peg

  1. Read the contributing guide first: it says how the maintainers want changes proposed, tested and reviewed.
  2. Your contributions will be published under the project's GPL-3.0 license.
  3. Pick the open beginner-friendly issue below and comment that you want to work on it before you start.
Beginner friendly Everything
Open All

Issues somebody may already be working on are listed last. List everything by date

  • “My Pareto front”
    Open
    • Is something wrong?
    enhancement

    Difficulty 5/5 Over a week Newbie friendliness 15/100

    ddmms/ml-peg#948 · 1 comment ·

    Maintainers usually reply within 1 day

  • Central all weights controls
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 1-2 days Newbie friendliness 35/100

    ddmms/ml-peg#947 ·

    Maintainers usually reply within 1 day

  • Sort models
    Open
    • Is something wrong?
    enhancement good first issue

    Difficulty 2/5 1-3 hours Newbie friendliness 62/100

    ddmms/ml-peg#946 ·

    Maintainers usually reply within 1 day

  • Add thermodynamic properties for neutral organic binary liquid mixtures
    Open
    • Is something wrong?
    new benchmark

    Difficulty 5/5 Over a week Newbie friendliness 15/100

    ddmms/ml-peg#936 · 1 reaction ·

    Maintainers usually reply within 1 day

  • Big tables: model name cells become transparent once clicked on
    Open
    • Is something wrong?
    bug web-bug

    Difficulty 3/5 1-2 days Newbie friendliness 50/100

    ddmms/ml-peg#932 ·

    Maintainers usually reply within 1 day

  • Add Rowley Biaryl Torsion Benchmark
    Open
    • Is something wrong?
    new benchmark

    Difficulty 4/5 3-5 days Newbie friendliness 25/100

    ddmms/ml-peg#923 · 2 comments ·

    Maintainers usually reply within 1 day

  • PytestUnknownMarkWarning for speed markers when analysis tests import calc modules
    Open
    • Is something wrong?
    bug

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

    ddmms/ml-peg#922 ·

    Maintainers usually reply within 1 day

  • Restructure docs?
    Open
    • Is something wrong?
    documentation question

    Difficulty 5/5 Over a week Newbie friendliness 22/100

    ddmms/ml-peg#917 ·

    Maintainers usually reply within 1 day

  • Evaluating on the MAD-2 structures recalculated over multiple DFT reference protocols
    Open
    • Is something wrong?
    new benchmark

    Difficulty 5/5 Over a week Newbie friendliness 12/100

    ddmms/ml-peg#915 ·

    Maintainers usually reply within 1 day

  • Add DFT functional performance for GSCDB138 and wiggle150
    Open
    • Is something wrong?
    enhancement

    Difficulty 4/5 3-5 days Newbie friendliness 40/100

    ddmms/ml-peg#914 ·

    Maintainers usually reply within 1 day

  • Add `dataset` category
    Open
    • Is something wrong?
    enhancement

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

    ddmms/ml-peg#911 ·

    Maintainers usually reply within 1 day

  • Diatomic scores favour errors?
    Open
    • Is something wrong?
    bug

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

    ddmms/ml-peg#910 ·

    Maintainers usually reply within 1 day

  • Add error bars to MD simulation observables
    Open
    • Is something wrong?
    enhancement

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

    ddmms/ml-peg#908 · 2 comments ·

    Maintainers usually reply within 1 day

  • Remove stale interactivity below tables when clicking a new model
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 45/100

    ddmms/ml-peg#903 ·

    Maintainers usually reply within 1 day

  • Add docs: how to run ml-peg on a cluster
    Open
    • Is something wrong?
    documentation enhancement

    Difficulty 3/5 Half a day Newbie friendliness 45/100

    ddmms/ml-peg#899 ·

    Maintainers usually reply within 1 day

  • Include additional performance and effiency benchmarks
    Open
    • Is something wrong?
    new benchmark

    Difficulty 5/5 Over a week Newbie friendliness 12/100

    ddmms/ml-peg#894 · 1 comment ·

    Maintainers usually reply within 1 day

  • Improve sort by score
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 52/100

    ddmms/ml-peg#890 ·

    Maintainers usually reply within 1 day

  • Deal with duplicates for citations
    Open
    • Is something wrong?

    Difficulty 5/5 Over a week Newbie friendliness 18/100

    ddmms/ml-peg#889 ·

    Maintainers usually reply within 1 day

  • Fix precision of data
    Open
    • Is something wrong?
    bug

    Difficulty 3/5 1-2 days Newbie friendliness 25/100

    ddmms/ml-peg#878 ·

    Maintainers usually reply within 1 day

  • Add interactivity to Grambow Organics NEB benchmark
    Open
    • Is something wrong?
    enhancement

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

    ddmms/ml-peg#875 ·

    Maintainers usually reply within 1 day

  • Model downloads
    Open
    • Is something wrong?
    enhancement

    Difficulty 4/5 3-5 days Newbie friendliness 18/100

    ddmms/ml-peg#860 ·

    Maintainers usually reply within 1 day

  • Add identification of tests with elements
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 1-2 days Newbie friendliness 35/100

    ddmms/ml-peg#848 ·

    Maintainers usually reply within 1 day

  • Add staging/dev deployment
    Open
    • Is something wrong?
    enhancement

    Difficulty 4/5 3-5 days Newbie friendliness 18/100

    ddmms/ml-peg#845 ·

    Maintainers usually reply within 1 day

  • add citation download
    Open
    • Is something wrong?
    enhancement

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

    ddmms/ml-peg#841 ·

    Maintainers usually reply within 1 day

  • Add mace polar benchmark docs
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 22/100

    ddmms/ml-peg#840 ·

    Maintainers usually reply within 1 day

  • Add rollback functionality
    Open
    • Is something wrong?
    enhancement

    Difficulty 5/5 Over a week Newbie friendliness 12/100

    ddmms/ml-peg#839 ·

    Maintainers usually reply within 1 day

  • Add filtering by property
    Open
    • Is something wrong?
    enhancement

    Difficulty 4/5 3-5 days Newbie friendliness 22/100

    ddmms/ml-peg#838 ·

    Maintainers usually reply within 1 day

  • Move wiggle150 to conformers
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 35/100

    ddmms/ml-peg#829 ·

    Maintainers usually reply within 1 day

  • wrong units
    Open
    • Is something wrong?

    Difficulty 2/5 1-3 hours Newbie friendliness 35/100

    ddmms/ml-peg#811 · 2 comments ·

    Maintainers usually reply within 1 day

  • Add statistical analysis utilities and thermodynamic observables for MD
    May be free again Open
    • Is something wrong?

    Difficulty 3/5 1-2 days Newbie friendliness 35/100

    ddmms/ml-peg#809 · 1 comment ·

    Maintainers usually reply within 1 day

  • thermodynamic properties from the Virtual Chemistry database
    May be free again Open
    • Is something wrong?
    new benchmark

    Difficulty 4/5 3-5 days Newbie friendliness 32/100

    ddmms/ml-peg#806 ·

    Maintainers usually reply within 1 day

  • Add testing for model precison
    Open
    • Is something wrong?
    enhancement testing

    Difficulty 4/5 3-5 days Newbie friendliness 25/100

    ddmms/ml-peg#801 ·

    Maintainers usually reply within 1 day

  • Move all data to separate directory
    Open
    • Is something wrong?
    breaking enhancement question

    Difficulty 5/5 Over a week Newbie friendliness 15/100

    ddmms/ml-peg#800 ·

    Maintainers usually reply within 1 day

  • Fix silent float32 precision truncation in MatterSim graph construction
    May be free again Open
    • Is something wrong?
    bug

    Difficulty 4/5 3-5 days Newbie friendliness 22/100

    ddmms/ml-peg#786 · 1 comment ·

    Maintainers usually reply within 1 day

  • Set SevenNet precision
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 1-2 days Newbie friendliness 38/100

    ddmms/ml-peg#784 ·

    Maintainers usually reply within 1 day

  • Interrupt dynamics when forces explode
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 45/100

    ddmms/ml-peg#770 ·

    Maintainers usually reply within 1 day

  • Expand plutonium dioxide benchmark
    Open
    • Is something wrong?
    new benchmark

    Difficulty 4/5 3-5 days Newbie friendliness 22/100

    ddmms/ml-peg#768 ·

    Maintainers usually reply within 1 day

  • Label benchmarks that require charges
    Open
    • Is something wrong?
    documentation enhancement

    Difficulty 3/5 1-2 days Newbie friendliness 25/100

    ddmms/ml-peg#767 ·

    Maintainers usually reply within 1 day

  • Set default filter elements
    Open
    • Is something wrong?
    enhancement priority

    Difficulty 3/5 1-2 days Newbie friendliness 35/100

    ddmms/ml-peg#766 ·

    Maintainers usually reply within 1 day

  • Update greyed out style/FAQ
    Open
    • Is something wrong?
    documentation

    Difficulty 3/5 Half a day Newbie friendliness 35/100

    ddmms/ml-peg#754 ·

    Maintainers usually reply within 1 day

  • Download issue
    Open
    • Is something wrong?
    bug

    Difficulty 3/5 Half a day Newbie friendliness 35/100

    ddmms/ml-peg#744 · 1 comment ·

    Maintainers usually reply within 1 day

  • Scatter shapes aren't interactive
    Open
    • Is something wrong?
    bug

    Difficulty 3/5 Half a day Newbie friendliness 45/100

    ddmms/ml-peg#702 ·

    Maintainers usually reply within 1 day

  • Add tag for MACE-MP-0 paper
    Open
    • Is something wrong?
    enhancement

    Difficulty 2/5 1-3 hours Newbie friendliness 62/100

    ddmms/ml-peg#673 ·

    Maintainers usually reply within 1 day

  • Add version to footer
    Open
    • Is something wrong?
    enhancement

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

    ddmms/ml-peg#672 ·

    Maintainers usually reply within 1 day

  • Weights/thresholds do not persist
    Open
    • Is something wrong?
    bug

    Difficulty 3/5 1-2 days Newbie friendliness 42/100

    ddmms/ml-peg#655 ·

    Maintainers usually reply within 1 day

  • Missing documentation
    Open
    • Is something wrong?
    bug documentation

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

    ddmms/ml-peg#654 ·

    Maintainers usually reply within 1 day

  • Add model citations
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 35/100

    ddmms/ml-peg#651 ·

    Maintainers usually reply within 1 day

  • feat: new benchmark torsion net 500 dihedral scan
    May be free again Open
    • Is something wrong?
    external new benchmark

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

    ddmms/ml-peg#642 ·

    Maintainers usually reply within 1 day

  • Add partial filtering
    Open
    • Is something wrong?
    enhancement

    Difficulty 5/5 Over a week Newbie friendliness 18/100

    ddmms/ml-peg#623 ·

    Maintainers usually reply within 1 day

  • Update metals EoS colour scheme
    Open
    • Is something wrong?
    enhancement

    Difficulty 3/5 Half a day Newbie friendliness 35/100

    ddmms/ml-peg#568 · 1 reaction ·

    Maintainers usually reply within 1 day

Showing the newest 100

This page lists what was indexed most recently. Advanced filter has the whole inventory, narrowed by language, difficulty and how long a task takes.

Open advanced filter

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.