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Pull requests: ddmms/ml-peg

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Pull requests list

Add f-block category breaking API breaking changes documentation Improvements or additions to documentation enhancement New feature or request
#772 opened Jul 30, 2026 by ElliottKasoar Collaborator Loading…
5 tasks done
Fix ethanol-water density benchmark temperature bug Something isn't working enhancement New feature or request
#762 opened Jul 29, 2026 by arnon-1 Contributor Loading…
5 tasks done
1
fix weas highlight follow bug for density plots enhancement New feature or request
#761 opened Jul 28, 2026 by joehart2001 Collaborator Loading…
5 tasks done
Fixes for histogram for water dipoles benchmark bug Something isn't working
#760 opened Jul 28, 2026 by MandyHoffmann Contributor Loading…
5 tasks done
1
Add framework summary tables on each page + overall framework summary enhancement New feature or request
#751 opened Jul 26, 2026 by joehart2001 Collaborator Loading…
5 tasks done
1
10
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 • Draft
9 tasks done
1
Add more frameowrk info and description box with links enhancement New feature or request
#731 opened Jul 23, 2026 by joehart2001 Collaborator Loading…
5 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 • Draft
5 tasks done
1
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 • Draft
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 • Draft
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
feat: add gramow neb benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#722 opened Jul 23, 2026 by lwehrhan Contributor Loading…
9 tasks
1
Add Matbench Discovery framework attribution enhancement New feature or request external Contribution from external framework
#721 opened Jul 23, 2026 by janosh Loading…
fix max table width enhancement New feature or request
#720 opened Jul 23, 2026 by joehart2001 Collaborator Loading…
5 tasks done
3
Add Matbench diatomic evaluation metrics external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#718 opened Jul 22, 2026 by janosh Loading…
2 tasks done
Add geometry optimization evaluation metrics external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#719 opened Jul 22, 2026 by janosh Loading…
2 tasks done
Add materials discovery evaluation metrics external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#717 opened Jul 22, 2026 by janosh Loading…
2 tasks done
add diatomic download and share utilities from phonons download enhancement New feature or request
#715 opened Jul 21, 2026 by joehart2001 Collaborator Loading…
5 tasks done
3
Add Jacobian Symmetry physicality benchmark new benchmark Proposals and suggestions for new benchmarks
#713 opened Jul 21, 2026 by ellalbolland Contributor Loading…
9 tasks done
1
7
Adding thermal conductivity benchmark kSRME external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#692 opened Jul 12, 2026 by bpota Loading…
5 tasks done
1
16
Add TorsionNet500CCSDT benchmark visualisation, MAE metric, and docs new benchmark Proposals and suggestions for new benchmarks
#682 opened Jul 8, 2026 by ellalbolland Contributor Loading…
5 tasks done
1
12
feat: add ring planarity benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#681 opened Jul 8, 2026 by lwalew Loading…
5 tasks done
1
4
feat: add grambow barrier heights benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#670 opened Jul 6, 2026 by lwehrhan Contributor Loading…
5 tasks done
1
3
feat: add bond length distribution benchmark external Contribution from external framework new benchmark Proposals and suggestions for new benchmarks
#666 opened Jul 3, 2026 by lwalew • Draft
5 tasks done
1
2
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