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Pull requests: ddmms/ml-peg

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Pull requests list

⚡ Bolt: Cache framework registry loading
#468 opened Apr 14, 2026 by alinelena Collaborator Loading…
⚡ Bolt: Cache yaml loading in get_models.py
#462 opened Apr 12, 2026 by alinelena Collaborator Loading…
Add CMRAds200 adsorption energies benchmarks
#461 opened Apr 12, 2026 by benshi97 Loading…
5 tasks done
⚡ Bolt: Cache models.yml loading for performance
#460 opened Apr 11, 2026 by alinelena Collaborator Loading…
⚡ Bolt: Optimize scalar NaN checks
#458 opened Apr 10, 2026 by alinelena Collaborator Loading…
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 Draft
5 tasks done
Split vacancies benchmark new benchmark Proposals and suggestions for new benchmarks
#437 opened Mar 23, 2026 by ThomasWarford Contributor Loading…
1 of 5 tasks
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
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
Bond dissociation energy benchmark new benchmark Proposals and suggestions for new benchmarks
#426 opened Mar 12, 2026 by gelzinyte Loading…
5 tasks done
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
download button for csv, png, svg - attempt 2 enhancement New feature or request
#420 opened Mar 10, 2026 by joehart2001 Collaborator Loading…
1 task done
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
Adding cleavage benchmarks new benchmark Proposals and suggestions for new benchmarks
#404 opened Mar 4, 2026 by vue1999 Loading…
5 tasks done
Plutonium Dioxide benchmark new benchmark Proposals and suggestions for new benchmarks
#396 opened Mar 1, 2026 by williamdavie Loading…
5 tasks done
Setup solid-state electrolytes benchmark new benchmark Proposals and suggestions for new benchmarks
#394 opened Feb 26, 2026 by ThiagoReschutzegger Loading…
5 tasks done
Metal surface reconstuctions benchmark new benchmark Proposals and suggestions for new benchmarks
#392 opened Feb 25, 2026 by Felixrccs Loading…
5 tasks done
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
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
Element filtering enhancement New feature or request
#368 opened Feb 16, 2026 by joehart2001 Collaborator Draft
1 task done
Aqueous Iron Chloride Oxidation States lr new benchmark Proposals and suggestions for new benchmarks
#360 opened Feb 11, 2026 by PKourtis Loading…
4 of 5 tasks
Low dimensional benchmark new benchmark Proposals and suggestions for new benchmarks
#355 opened Feb 9, 2026 by JonathanSchmidt1 Loading…
5 tasks done
ethanol-water density curves new benchmark Proposals and suggestions for new benchmarks
#353 opened Feb 7, 2026 by arnon-1 Loading…
5 tasks done
NEB surface reaction new benchmark Proposals and suggestions for new benchmarks
#350 opened Feb 6, 2026 by jungsdao Loading…
5 tasks done
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