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Orb models - #133
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Orb models#133
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…tbench-discovery into orbitalmaterials-orb
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+ where False = isinstance(['MPtrj', 'Alex'], (dict | str))
janosh
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thanks a lot @DeNeutoy! excellent results. please send a follow up PR once https://github.com/orbital-materials/orb-models is public and the paper URL/DOI is available
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* initial structure for submission * add readme and second config * add model predictions, readme * update yamls * feedback from Rhys * feedback from Rhys * yaml tweaks * rename, try to fix some ruff errors * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * <= in test * more ruff * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * small tweaks for site reqs orb-v1-mptrj * tweak path, update yaml hparams * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * orb-models switch * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * fix: 0.1 is float c.f. 0.0.1 auto becomes a string * models/orb/orb[-mptrj].yml use training set keys * consistent casing MPTrj->MPtrj * allow array of training set keys in model metadata schema * update site figs * fix test_model_dirs_have_metadata + where False = isinstance(['MPtrj', 'Alex'], (dict | str)) * fix broken site build from invalid DOI/paper/model URLs --------- Co-authored-by: Rhys Goodall <rhys.goodall@outlook.com> Co-authored-by: Janosh Riebesell <janosh.riebesell@gmail.com>
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Orb models from OM. Let me know if the yaml's need any more specific details! I haven't actually published our code to run the models yet, I will do that soon.