Skip to content

Pull requests: ddmms/ml-peg

New pull request New
31 Open 163 Closed
31 Open 163 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Setup solid-state electrolytes benchmark
#394 opened Feb 26, 2026 by ThiagoReschutzegger Loading…
5 tasks done
1
3
Metal surface reconstuctions benchmark
#392 opened Feb 25, 2026 by Felixrccs Loading…
5 tasks done
7
Add Ti64 and diamond phonon benchmarks
#391 opened Feb 24, 2026 by 7radians Loading…
6 tasks done
1
New benchmark: Elemental Transition Metals Vacancy Formation Energies
#390 opened Feb 23, 2026 by alxdr-peuch Loading…
5 tasks done
1
ACONFL lr new benchmark Proposals and suggestions for new benchmarks
#389 opened Feb 21, 2026 by kuryla Loading…
5 tasks done
1
Liquid densities lr new benchmark Proposals and suggestions for new benchmarks
#388 opened Feb 21, 2026 by kuryla Loading…
4 of 5 tasks
1
3dTMV benchmark lr new benchmark Proposals and suggestions for new benchmarks
#380 opened Feb 19, 2026 by kuryla Loading…
5 tasks done
1
model selection enhancement New feature or request
#378 opened Feb 18, 2026 by joehart2001 Loading…
1 task done
1
5
Adding SBH17 surface barriers benchmark new benchmark Proposals and suggestions for new benchmarks
#375 opened Feb 18, 2026 by gkleryoung Loading…
5 tasks done
1
8
Element filtering enhancement New feature or request
#368 opened Feb 16, 2026 by joehart2001 • Draft
1 task done
1
1
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
1
29
Low dimensional benchmark new benchmark Proposals and suggestions for new benchmarks
#355 opened Feb 9, 2026 by JonathanSchmidt1 Loading…
5 tasks done
1
ethanol-water density curves new benchmark Proposals and suggestions for new benchmarks
#353 opened Feb 7, 2026 by arnon-1 • Draft
2 of 5 tasks
1
NEB surface reaction new benchmark Proposals and suggestions for new benchmarks
#350 opened Feb 6, 2026 by jungsdao Loading…
5 tasks done
1
1
Water slab dipoles new benchmark Proposals and suggestions for new benchmarks
#349 opened Feb 5, 2026 by MandyHoffmann Loading…
5 tasks done
1
Adding benchmarks for iron new benchmark Proposals and suggestions for new benchmarks
#345 opened Feb 4, 2026 by ttompa Loading…
5 tasks done
1
Added benchmark CRBH20 reaction energy barriers dataset new benchmark Proposals and suggestions for new benchmarks
#343 opened Feb 4, 2026 by Quantumplations Loading…
5 tasks done
1
[WIP] Benchmark of bulk crystal structure properties using quasiharmonic atomate2 workflow new benchmark Proposals and suggestions for new benchmarks
#342 opened Feb 4, 2026 by JonathanSchmidt1 Loading…
2 of 5 tasks
1
1
High pressure crystals structure relaxations new benchmark Proposals and suggestions for new benchmarks
#340 opened Feb 4, 2026 by JonathanSchmidt1 Loading…
6 tasks done
1
Add new category containing interstitial benchmarks new benchmark Proposals and suggestions for new benchmarks
#337 opened Feb 4, 2026 by zhonganr Loading…
8
BMIM Cl bond formation benchmark new benchmark Proposals and suggestions for new benchmarks
#334 opened Feb 2, 2026 by PythonFZ Loading…
5 tasks done
7
Graphene wetting benchmark new benchmark Proposals and suggestions for new benchmarks
#333 opened Jan 31, 2026 by dwl38 Loading…
5 tasks done
1
13
WIP: EOS test as in section A13 of mace mp0 paper new benchmark Proposals and suggestions for new benchmarks
#327 opened Jan 30, 2026 by pgrigorev • Draft
2 of 5 tasks
1
1
Silicon interstitial NEBs new benchmark Proposals and suggestions for new benchmarks
#326 opened Jan 30, 2026 by zwei-beiner Loading…
5 tasks done
1
8
Added 2D TMDs NEB benchmark and docs updates new benchmark Proposals and suggestions for new benchmarks
#325 opened Jan 30, 2026 by Jad-J3far Loading…
5 tasks done
1
3
ProTip! What’s not been updated in a month: updated:<2026-01-26.