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Pull requests: ddmms/ml-peg

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Pull requests list

feat: add NVE energy conservation benchmark
#852 opened Sep 11, 2026 by lwalew Contributor Loading…
9 tasks done
1
Update oxygen diffusion to use cNEB breaking API breaking changes bug Something isn't working documentation Improvements or additions to documentation
#849 opened Sep 11, 2026 by ElliottKasoar Collaborator Loading…
5 tasks done
Add rotational symmetry physicality benchmark
#847 opened Sep 10, 2026 by ellalbolland Contributor Loading…
9 tasks done
1
2
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
1
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)
#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
feat: add protein folding stability benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#730 opened Jul 23, 2026 by lwalew Contributor Loading…
5 tasks done
1
4
feat: add protein sampling benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#729 opened Jul 23, 2026 by lwalew Contributor Loading…
9 tasks done
1
feat: add solvent radial distribution benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#728 opened Jul 23, 2026 by lwalew Contributor Loading…
5 tasks done
1
feat: add reference geometry stability benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#724 opened Jul 23, 2026 by lwehrhan Contributor Loading…
9 tasks
1
ProTip! What’s not been updated in a month: updated:<2026-08-12.