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Pull requests: ddmms/ml-peg
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Add element filter
breaking
API breaking changes
enhancement
New feature or request
priority
Urgent attention required
#512
opened Apr 29, 2026 by
ElliottKasoar
Collaborator
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Draft
1 task done
⚡ Bolt: Cache framework registry loading
#511
opened Apr 29, 2026 by
alinelena
Collaborator
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Add models file input option
enhancement
New feature or request
#508
opened Apr 28, 2026 by
ElliottKasoar
Collaborator
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1 task done
update table colour from viridis_r to RdYlGn_r
#507
opened Apr 28, 2026 by
joehart2001
Collaborator
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1 task done
add score info helper to summary and category pages
#506
opened Apr 28, 2026 by
joehart2001
Collaborator
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1 task
⚡ Bolt: Optimize extxyz metadata parsing
#503
opened Apr 28, 2026 by
alinelena
Collaborator
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⚡ Bolt: Fast Extended XYZ metadata parsing via read_extxyz_info_fast
#498
opened Apr 25, 2026 by
alinelena
Collaborator
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⚡ Bolt: Optimize load_framework_registry with lru_cache
#492
opened Apr 22, 2026 by
alinelena
Collaborator
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⚡ Bolt: Cache framework registry loading to prevent repeated YAML parsing
#488
opened Apr 21, 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
⚡ Bolt: Cache framework registry loading
#482
opened Apr 18, 2026 by
alinelena
Collaborator
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Cu h2o rdf
new benchmark
Proposals and suggestions for new benchmarks
#470
opened Apr 15, 2026 by
IsaacParker30
•
Draft
5 tasks done
⚡ Bolt: Add lru_cache to load_framework_registry
#469
opened Apr 15, 2026 by
alinelena
Collaborator
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⚡ Bolt: Cache framework registry loading
#468
opened Apr 14, 2026 by
alinelena
Collaborator
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Add CMRAds200 adsorption energies benchmarks
new benchmark
Proposals and suggestions for new benchmarks
#461
opened Apr 12, 2026 by
benshi97
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5 tasks done
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
download button for csv, png, svg - attempt 2
enhancement
New feature or request
#420
opened Mar 10, 2026 by
joehart2001
Collaborator
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1 task 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
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