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Pull requests: ddmms/ml-peg

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Pull requests list

Fix D3 correction for r2SCAN model
#247 opened Jan 7, 2026 by ElliottKasoar Loading…
1 task done
@ElliottKasoar
2
Add BH9 benchmark
#242 opened Jan 5, 2026 by kuryla Loading…
4 of 5 tasks
Add BH2O-36 benchmark
#241 opened Jan 5, 2026 by kuryla Loading…
4 of 5 tasks
Add solvMPCONF196
#240 opened Jan 4, 2026 by kuryla Loading…
4 of 5 tasks
Add OpenFF-Tors benchmark
#239 opened Jan 4, 2026 by kuryla Loading…
4 of 5 tasks
1
Add UPU46 benchmark
#238 opened Jan 4, 2026 by kuryla Loading…
4 of 5 tasks
Add MPCONF196 benchmark
#237 opened Jan 4, 2026 by kuryla Loading…
4 of 5 tasks
Add Maltose222 benchmark
#236 opened Jan 3, 2026 by kuryla Loading…
4 of 5 tasks
Add Glucose205 benchmark
#235 opened Jan 3, 2026 by kuryla Loading…
4 of 5 tasks
Add DipCONFS benchmark
#234 opened Jan 2, 2026 by kuryla Loading…
4 of 5 tasks
Add 37Conf8 benchmark
#233 opened Jan 1, 2026 by kuryla Loading…
4 of 5 tasks
Add NCIA_SH250x10 benchmark
#232 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add NCIA_R739x5 benchmark
#231 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add NCIA_IHB100x10 benchmark
#230 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add NCIA_HB375x10 benchmark
#229 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add NCIA_HB300SPXx10 benchmark
#228 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add NCIA_D1200 benchmark
#227 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add NCIA_D442x10 benchmark
#226 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Add IONPI19 benchmark
#225 opened Dec 22, 2025 by kuryla Loading…
4 of 5 tasks
Phonons analysis app new benchmark Proposals and suggestions for new benchmarks
#223 opened Dec 17, 2025 by joehart2001 Loading…
3 of 5 tasks
1
42
Download csv, png and svg of tables
#219 opened Dec 16, 2025 by joehart2001 Loading…
1 task done
1
Add PLF547 lr new benchmark Proposals and suggestions for new benchmarks
#207 opened Dec 5, 2025 by kuryla • Draft
4 tasks done
1
@ElliottKasoar @joehart2001
15
Select and hide models
#191 opened Nov 26, 2025 by joehart2001 Loading…
1 task done
1
3
Add supramolecular benchmark: PLA15 example benchmark addition new benchmark Proposals and suggestions for new benchmarks
#69 opened Sep 24, 2025 by joehart2001 • Draft
5 tasks done
1
14
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