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Pull requests: ddmms/ml-peg
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Add benchmark for model evaluation on small clusters
new benchmark
Proposals and suggestions for new benchmarks
#547
opened May 12, 2026 by
frostedoyster
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5 tasks done
⚡ Bolt: Replace DataFrame iterrows() with itertuples() / to_dict('records')
#545
opened May 12, 2026 by
alinelena
Collaborator
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⚡ Bolt: Replace iterrows with itertuples for faster dataframe iteration
#543
opened May 11, 2026 by
alinelena
Collaborator
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⚡ Bolt: Replace iterrows() with performant zip() and itertuples()
#542
opened May 10, 2026 by
alinelena
Collaborator
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Add polymer simulations benchmark
new benchmark
Proposals and suggestions for new benchmarks
#539
opened May 8, 2026 by
gncs
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4 of 5 tasks
⚡ Bolt: Replace
iterrows with itertuples for faster DataFrame iteration
#536
opened May 8, 2026 by
alinelena
Collaborator
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⚡ Bolt: [performance improvement] Optimize Pandas dataframe iteration
#533
opened May 7, 2026 by
alinelena
Collaborator
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⚡ Bolt: Cache faqs.yml loading to speed up app rendering
#530
opened May 6, 2026 by
alinelena
Collaborator
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make elasticity result processing robust to missing data
enhancement
New feature or request
#526
opened May 4, 2026 by
joehart2001
Collaborator
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1 task done
Energy response
new benchmark
Proposals and suggestions for new benchmarks
#523
opened May 2, 2026 by
viktorsvahn
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4 of 5 tasks
add elastic tensor voigt form check and conversion if needed
enhancement
New feature or request
#522
opened May 2, 2026 by
joehart2001
Collaborator
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1 task done
Add element filter
breaking
API breaking changes
enhancement
New feature or request
priority
Urgent attention required
#512
opened Apr 29, 2026 by
ElliottKasoar
Collaborator
•
Draft
1 task done
⚡ Bolt: Fast EXYZ Metadata Parsing
enhancement
New feature or request
#497
opened Apr 24, 2026 by
alinelena
Collaborator
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Remove mean position during LNCI16
enhancement
New feature or request
#487
opened Apr 20, 2026 by
ElliottKasoar
Collaborator
•
Draft
1 task done
Cu h2o rdf
new benchmark
Proposals and suggestions for new benchmarks
#470
opened Apr 15, 2026 by
IsaacParker30
•
Draft
5 tasks done
⚡ Bolt: Optimize scalar NaN checks
enhancement
New feature or request
#458
opened Apr 10, 2026 by
alinelena
Collaborator
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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
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5 tasks done
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
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4 of 5 tasks
Feat/add folmsbee conformer benchmark
new benchmark
Proposals and suggestions for new benchmarks
#429
opened Mar 16, 2026 by
lwehrhan
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4 of 5 tasks
Bond dissociation energy benchmark
new benchmark
Proposals and suggestions for new benchmarks
#426
opened Mar 12, 2026 by
gelzinyte
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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
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5 tasks 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
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5 tasks done
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