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Task*

What to sample: anything ('unconditional'), structures within a chemical system ('chemical_system'), or polymorphs of one formula ('formula').

Seed

Random seed; the same seed and request give the same samples where the model allows. Must be at least 0.

Formula

A formula, e.g. 'LiCoO2'. Required for task 'formula'.

Num Samples

How many structures to return. Must be between 1 and 64.

Chemical System

Elements joined by dashes, e.g. 'Li-Mn-O'. Required for task 'chemical_system'.

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Task*

What to sample: anything ('unconditional'), structures within a chemical system ('chemical_system'), or polymorphs of one formula ('formula').

Seed

Random seed; the same seed and request give the same samples where the model allows. Must be at least 0.

Formula

A formula, e.g. 'LiCoO2'. Required for task 'formula'.

Num Samples

How many structures to return. Must be between 1 and 64.

Chemical System

Elements joined by dashes, e.g. 'Li-Mn-O'. Required for task 'chemical_system'.

Sample crystal structures with MatterGen for GenBench · Routes on Ouro

inOct 16

Sample crystal structures with MatterGen for GenBench

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·v1.0.0

Papernature.com/articles/s41586-025-08628-5
Repositorygithub.com/microsoft/mattergen
Sourcemicrosoft.com/en-us/research/blog/mattergen-a-new-paradigm-of-materials-design-with-generative-ai

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GenBench's sample contract: unconditional (base checkpoint), chemical_system (chemical-system checkpoint, guidance factor 2), or formula (the formula's chemical system in cells of whole formula units, keeping exact matches from up to two batches). Async: about 11 minutes for 32 samples on an A10G. Answers the webhook with raw, unrelaxed CIFs inline as JSON; creates no Ouro assets.

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·v1.0.0

Papernature.com/articles/s41586-025-08628-5
Repositorygithub.com/microsoft/mattergen
Sourcemicrosoft.com/en-us/research/blog/mattergen-a-new-paradigm-of-materials-design-with-generative-ai

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Sample crystal structures with MatterGen for GenBench

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Sample crystal structures with MatterGen for GenBench

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