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Pull requests: ddmms/ml-peg

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Pull requests list

Water cl2 relaxation new benchmark Proposals and suggestions for new benchmarks
#669 opened Jul 5, 2026 by kuryla Collaborator Loading…
4 of 5 tasks
feat: add bond length distribution benchmark
#666 opened Jul 3, 2026 by lwalew • Draft
5 tasks done
1
feat: water rdf benchmark
#660 opened Jul 2, 2026 by lwehrhan • Draft
5 tasks done
1
1
feat: add torsion net benchmark
#659 opened Jul 2, 2026 by lwehrhan • Draft
5 tasks done
1
feat: add tautobase
#658 opened Jul 2, 2026 by lwehrhan Loading…
5 tasks done
1
feat: add md stability benchmark new benchmark Proposals and suggestions for new benchmarks
#644 opened Jun 24, 2026 by lwehrhan Loading…
5 tasks done
1
3
Improve element filtering: model union/intersection presets, kept count, apply indicator enhancement New feature or request
#628 opened Jun 18, 2026 by joehart2001 Collaborator • Draft
1 task done
3
add clear cache button to clear local stores easily + automatic clearing upon version bump enhancement New feature or request
#627 opened Jun 18, 2026 by joehart2001 Collaborator Loading…
1 task done
2
Add example partial filter enhancement New feature or request
#625 opened Jun 18, 2026 by ElliottKasoar Collaborator • Draft
1 task done
dashed outline to zero weight boxes enhancement New feature or request
#619 opened Jun 16, 2026 by joehart2001 Collaborator Loading…
1 task done
add vivace model new model Proposals and suggestions for new models to test
#606 opened Jun 12, 2026 by joehart2001 Collaborator Loading…
2 of 3 tasks
Add upet and sevennet models new model Proposals and suggestions for new models to test
#591 opened Jun 5, 2026 by joehart2001 Collaborator Loading…
1 task done
11
GMTKN55 plotting: add differnet shapes for GMTKN55 categories enhancement New feature or request
#586 opened Jun 3, 2026 by joehart2001 Collaborator Loading…
1 task done
4
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…
30
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
21
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
17
Energy response new benchmark Proposals and suggestions for new benchmarks
#523 opened May 2, 2026 by viktorsvahn Loading…
4 of 5 tasks
7
Remove mean position during LNCI16 enhancement New feature or request
#487 opened Apr 20, 2026 by ElliottKasoar Collaborator Loading…
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
4
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
43
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
10
Feat/add folmsbee conformer benchmark new benchmark Proposals and suggestions for new benchmarks
#429 opened Mar 16, 2026 by lwehrhan Loading…
5 tasks done
1
23
Bond dissociation energy benchmark new benchmark Proposals and suggestions for new benchmarks
#426 opened Mar 12, 2026 by gelzinyte Loading…
5 tasks done
1
7
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
14
ProTip! Exclude everything labeled bug with -label:bug.