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Pull requests: ddmms/ml-peg

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Pull requests list

replace phonon dispersion downlaod with direct html links bug Something isn't working
#579 opened May 29, 2026 by joehart2001 Collaborator Loading…
1 task done
Update analysis to save element info enhancement New feature or request
#578 opened May 29, 2026 by ElliottKasoar Collaborator • Draft
1 task done
Update apps for element filtering enhancement New feature or request
#577 opened May 29, 2026 by ElliottKasoar Collaborator • Draft
1 task done
8
Add Al-Zn-Cu-Mg metallurgy regression benchmark and metrics new benchmark Proposals and suggestions for new benchmarks
#569 opened May 25, 2026 by daniel-sintef Loading…
6
Add basic element filter breaking API breaking changes enhancement New feature or request
#559 opened May 19, 2026 by ElliottKasoar Collaborator • Draft
1 task done
1
14
Add benchmark for model evaluation on small clusters new benchmark Proposals and suggestions for new benchmarks
#547 opened May 12, 2026 by frostedoyster Loading…
5 tasks done
1
16
Add polymer simulations benchmark new benchmark Proposals and suggestions for new benchmarks
#539 opened May 8, 2026 by gncs Loading…
4 of 5 tasks
1
15
Energy response new benchmark Proposals and suggestions for new benchmarks
#523 opened May 2, 2026 by viktorsvahn Loading…
4 of 5 tasks
5
Add element filter breaking API breaking changes enhancement New feature or request priority Urgent attention required
#512 opened Apr 29, 2026 by ElliottKasoar Collaborator • Draft
1 task done
1
@ElliottKasoar
Remove mean position during LNCI16 enhancement New feature or request
#487 opened Apr 20, 2026 by ElliottKasoar Collaborator • Draft
1 task done
Cu h2o rdf new benchmark Proposals and suggestions for new benchmarks
#470 opened Apr 15, 2026 by IsaacParker30 • Draft
5 tasks done
1
2
⚡ Bolt: Optimize scalar NaN checks enhancement New feature or request
#458 opened Apr 10, 2026 by alinelena Collaborator Loading…
1
Add WiSE electrolyte benchmark (density, X-ray S(q), Li-O RDF) new benchmark Proposals and suggestions for new benchmarks
#445 opened Apr 3, 2026 by LucaBrugnoli Loading…
5 tasks done
1
10
Split vacancies benchmark new benchmark Proposals and suggestions for new benchmarks
#437 opened Mar 23, 2026 by ThomasWarford Contributor Loading…
5 tasks done
1
22
Add HPHT_CH4_H2O free energy profile of proton hopping benchmark new benchmark Proposals and suggestions for new benchmarks
#436 opened Mar 23, 2026 by ThomasThevenet Loading…
4 of 5 tasks
9
Feat/add folmsbee conformer benchmark new benchmark Proposals and suggestions for new benchmarks
#429 opened Mar 16, 2026 by lwehrhan Loading…
4 of 5 tasks
1
6
Bond dissociation energy benchmark new benchmark Proposals and suggestions for new benchmarks
#426 opened Mar 12, 2026 by gelzinyte Loading…
5 tasks done
1
6
Volume scans going to very high densities new benchmark Proposals and suggestions for new benchmarks
#421 opened Mar 10, 2026 by JPDarby Loading…
5 tasks done
1
13
Add superacid HF/SbF5 density benchmark Ref #379 new benchmark Proposals and suggestions for new benchmarks
#410 opened Mar 5, 2026 by mattiaperr • Draft
3 of 5 tasks
1
17
Adding cleavage benchmarks new benchmark Proposals and suggestions for new benchmarks
#404 opened Mar 4, 2026 by vue1999 Loading…
5 tasks done
1
38
Plutonium Dioxide benchmark new benchmark Proposals and suggestions for new benchmarks
#396 opened Mar 1, 2026 by williamdavie Loading…
5 tasks done
1
18
Setup solid-state electrolytes benchmark new benchmark Proposals and suggestions for new benchmarks
#394 opened Feb 26, 2026 by ThiagoReschutzegger Loading…
5 tasks done
1
13
Metal surface reconstuctions benchmark new benchmark Proposals and suggestions for new benchmarks
#392 opened Feb 25, 2026 by Felixrccs Loading…
5 tasks done
35
Add Ti64 and diamond phonon benchmarks new benchmark Proposals and suggestions for new benchmarks
#391 opened Feb 24, 2026 by 7radians Loading…
6 tasks done
1
2
New benchmark: Elemental Transition Metals Vacancy Formation Energies new benchmark Proposals and suggestions for new benchmarks
#390 opened Feb 23, 2026 by alxdr-peuch Loading…
5 tasks done
1
8
ProTip! Updated in the last three days: updated:>2026-05-29.