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Pull requests: ddmms/ml-peg
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Bump pygments from 2.19.2 to 2.20.0
dependencies
Upgrades or fixes to dependencies
python:uv
Pull requests that update python:uv code
#440
opened Mar 30, 2026 by
dependabot
bot
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Bump cryptography from 46.0.3 to 46.0.6
dependencies
Upgrades or fixes to dependencies
python:uv
Pull requests that update python:uv code
#439
opened Mar 29, 2026 by
dependabot
bot
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Bump requests from 2.32.5 to 2.33.0
dependencies
Upgrades or fixes to dependencies
python:uv
Pull requests that update python:uv code
#438
opened Mar 26, 2026 by
dependabot
bot
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Add HPHT_CH4_H2O free energy profile of proton hopping benchmark
#436
opened Mar 23, 2026 by
ThomasThevenet
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4 of 5 tasks
Add tags to ingested tests and provide dedicated tabs
#434
opened Mar 18, 2026 by
joehart2001
•
Draft
1 task done
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
Water density
new benchmark
Proposals and suggestions for new benchmarks
#423
opened Mar 12, 2026 by
kuryla
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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
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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
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
Plutonium Dioxide benchmark
new benchmark
Proposals and suggestions for new benchmarks
#396
opened Mar 1, 2026 by
williamdavie
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5 tasks done
Setup solid-state electrolytes benchmark
new benchmark
Proposals and suggestions for new benchmarks
#394
opened Feb 26, 2026 by
ThiagoReschutzegger
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5 tasks done
Metal surface reconstuctions benchmark
new benchmark
Proposals and suggestions for new benchmarks
#392
opened Feb 25, 2026 by
Felixrccs
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5 tasks done
Add Ti64 and diamond phonon benchmarks
new benchmark
Proposals and suggestions for new benchmarks
#391
opened Feb 24, 2026 by
7radians
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6 tasks done
New benchmark: Elemental Transition Metals Vacancy Formation Energies
new benchmark
Proposals and suggestions for new benchmarks
#390
opened Feb 23, 2026 by
alxdr-peuch
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5 tasks done
Liquid densities
lr
new benchmark
Proposals and suggestions for new benchmarks
#388
opened Feb 21, 2026 by
kuryla
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5 tasks done
model selection
enhancement
New feature or request
#378
opened Feb 18, 2026 by
joehart2001
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1 task done
Adding SBH17 surface barriers benchmark
new benchmark
Proposals and suggestions for new benchmarks
#375
opened Feb 18, 2026 by
gkleryoung
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5 tasks done
Element filtering
enhancement
New feature or request
#368
opened Feb 16, 2026 by
joehart2001
•
Draft
1 task done
Aqueous Iron Chloride Oxidation States
lr
new benchmark
Proposals and suggestions for new benchmarks
#360
opened Feb 11, 2026 by
PKourtis
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4 of 5 tasks
Low dimensional benchmark
new benchmark
Proposals and suggestions for new benchmarks
#355
opened Feb 9, 2026 by
JonathanSchmidt1
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5 tasks done
ethanol-water density curves
new benchmark
Proposals and suggestions for new benchmarks
#353
opened Feb 7, 2026 by
arnon-1
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5 tasks done
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