Skip to content

Pull requests: ddmms/ml-peg

New pull request New
55 Open 499 Closed
55 Open 499 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

Move conftest into source code bug Something isn't working testing Unit testing or CI
#859 opened Sep 16, 2026 by ElliottKasoar Collaborator Loading…
5 tasks done
1
@joehart2001
Correct CRBH20 reference level of theory to PBE+D3
#858 opened Sep 16, 2026 by Quantumplations Contributor Loading…
4 of 5 tasks
1
1
add dpa3 and 4 models and model download new model Proposals and suggestions for new models to test
#856 opened Sep 15, 2026 by joehart2001 Collaborator • Draft
5 tasks
3
Add carbon benchmarking from GAP-20 paper (Part 1) new benchmark Proposals and suggestions for new benchmarks
#855 opened Sep 14, 2026 by patrickwrowe Loading…
5
Add elemental cohesive energy benchmark new benchmark Proposals and suggestions for new benchmarks
#854 opened Sep 14, 2026 by Quantumplations Contributor Loading…
8 of 9 tasks
1
feat: add NVE energy conservation benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#852 opened Sep 11, 2026 by lwalew Contributor Loading…
9 tasks done
1
Add rotational symmetry physicality benchmark new benchmark Proposals and suggestions for new benchmarks
#847 opened Sep 10, 2026 by ellalbolland Contributor Loading…
9 tasks done
1
7
Add test citations and credits to app documentation Improvements or additions to documentation
#842 opened Sep 7, 2026 by joehart2001 Collaborator Loading…
5 tasks done
1
Add translational symmetry benchmark new benchmark Proposals and suggestions for new benchmarks
#831 opened Aug 25, 2026 by ellalbolland Contributor Loading…
9 tasks done
1
3
Add YBCO lattice-parameters-vs-oxygen benchmark new benchmark Proposals and suggestions for new benchmarks
#827 opened Aug 20, 2026 by nicdieugenio Loading…
9 tasks done
4
Add ybco defect benchmark new benchmark Proposals and suggestions for new benchmarks
#825 opened Aug 20, 2026 by nicdieugenio Loading…
9 tasks done
3
Show Periodic Table for Oxygen Adsorption Benchmark enhancement New feature or request
#824 opened Aug 19, 2026 by ThomasWarford Contributor Loading…
4 of 5 tasks
1
Frontend part 2: cards, collapsible benchmarks and callback fixes (stacked on #820) enhancement New feature or request
#821 opened Aug 19, 2026 by DhruvSkyy Loading…
5 tasks done
Frontend part 1: theming, settings and responsive shell enhancement New feature or request
#820 opened Aug 19, 2026 by DhruvSkyy Loading…
5 tasks done
19
Add MD benchmark: aluminosilicates densities new benchmark Proposals and suggestions for new benchmarks
#819 opened Aug 18, 2026 by matildebenassi Loading…
9 tasks done
5
Orb alchemi d3 option enhancement New feature or request
#817 opened Aug 15, 2026 by joehart2001 Collaborator Loading…
5 tasks done
1
Plot controls enhancement New feature or request
#816 opened Aug 14, 2026 by joehart2001 Collaborator Loading…
5 tasks done
1
2
Precision tests testing Unit testing or CI
#813 opened Aug 13, 2026 by joehart2001 Collaborator Loading…
5 tasks done
Allow hover on tooltips enhancement New feature or request
#812 opened Aug 12, 2026 by joehart2001 Collaborator Loading…
5 tasks done
@ElliottKasoar
Small organics thermodynamics benchmark new benchmark Proposals and suggestions for new benchmarks
#808 opened Aug 11, 2026 by Marcello-Sega Collaborator Loading…
9 tasks done
1
@Marcello-Sega
1
Speed markers documentation Improvements or additions to documentation enhancement New feature or request
#793 opened Aug 4, 2026 by joehart2001 Collaborator Loading…
5 tasks done
31
Fix silent float32 precision truncation in MatterSim graph construction bug Something isn't working
#788 opened Aug 3, 2026 by ellalbolland Contributor Loading…
5 tasks done
1
5
Add battery electrolyte densities benchmark new benchmark Proposals and suggestions for new benchmarks
#778 opened Jul 31, 2026 by KMNitesh05 Loading…
9 tasks done
2
Parallelisation enhancement New feature or request
#749 opened Jul 26, 2026 by arnon-1 Contributor • Draft
5 tasks
feat: add inference speed benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#743 opened Jul 24, 2026 by lwalew Contributor Loading…
9 tasks done
1
ProTip! Exclude everything labeled bug with -label:bug.