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ethanol-water density curves

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#352 In ddmms/ml-peg;

· arnon-1 opened on Feb 7, 2026

Water Slab Dipole Distributions

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#348 In ddmms/ml-peg;

· MandyHoffmann opened on Feb 5, 2026

Plutonium dioxide benchmarks

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#347 In ddmms/ml-peg;

· williamdavie opened on Feb 5, 2026

Iron benchmarks

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#344 In ddmms/ml-peg;

· ttompa opened on Feb 4, 2026

Quasi Harmonic Workflow / Lattice Constants / Thermal Expansion / Bulkmodulus at temperature

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#341 In ddmms/ml-peg;

· JonathanSchmidt1 opened on Feb 4, 2026

Interstitial benchmarks

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#339 In ddmms/ml-peg;

· zhonganr opened on Feb 4, 2026

High-Pressure Crystal Structure Relaxations

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#338 In ddmms/ml-peg;

· JonathanSchmidt1 opened on Feb 4, 2026

document altering model kwargs e.g. default dtype

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#336 In ddmms/ml-peg;

· joehart2001 opened on Feb 3, 2026

Add Split Vacancy Defect Tests

new benchmarkProposals and suggestions for new benchmarksProposals and suggestions for new benchmarks

Status: Open.

#335 In ddmms/ml-peg;

· ThomasWarford opened on Feb 2, 2026

Document metric threshold selection

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#332 In ddmms/ml-peg;

· ElliottKasoar opened on Jan 30, 2026

Add download capability for data/models

enhancementNew feature or requestNew feature or request

Status: Open.

#331 In ddmms/ml-peg;

· ElliottKasoar opened on Jan 30, 2026

Add summarisation to CLI

enhancementNew feature or requestNew feature or request

Status: Open.

#330 In ddmms/ml-peg;

· ElliottKasoar opened on Jan 30, 2026