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Commits on Jan 21, 2025

• Address subset issue highlighted in #95 (#97)

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Commits on Jan 20, 2025

• remove binder links.

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Commits on Jan 9, 2025

• [pre-commit.ci] pre-commit autoupdate (#94)

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Commits on Jan 4, 2025

• Added predictions for classification task. Fixed the check for normalizer presence. (#93)

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Commits on Dec 15, 2024

• Added normalization for predictions. (#91)

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Commits on Nov 9, 2024

• Create citation.cff

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Commits on Oct 16, 2024

• doc: tex->bibtex to get syntax highlighting

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Commits on Sep 10, 2024

• Remove torch scatter dep (#88)

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Commits on Aug 26, 2024

• Add due.dcite to address #67 (#89)

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Commits on Aug 22, 2024

• refactor pymatviz imports as namespace

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Commits on Aug 5, 2024

• fix: working predict.py for a single model

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Commits on Aug 1, 2024

• Allow checkpoint name to be set explicitly. (#87)

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Commits on Jul 27, 2024

• Checkpoint every 10 (#86)

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• Fix checkpoint_model (#85)

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Commits on Jul 25, 2024

• fea: extract checkpoint function

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• fix: don't hard code the validation batch size

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Commits on Jul 24, 2024

• fea: get_formula_from_protostructure_label

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Commits on Jul 22, 2024

• Adopt protostructure naming (#84)

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Commits on Jul 19, 2024

• fix: raise="ignore" default let to invalid prototypes being returned.

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Commits on Jul 18, 2024

• fix: remove duplicated outputs from get_aflow_strs_from_iso_and_composition

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Commits on Jul 17, 2024

• fea: add count sites method

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Commits on Jul 16, 2024

• clean: replace more regex strings with shared patterns

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Commits on Jul 12, 2024

• fea: add __version__

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• fix: do not skip tests, use cache consistently

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• Improvements to the Wyckoff manipulation functions (#83)

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Commits on Jul 11, 2024

• fix: use for loop rather than generator, standardize regex string names

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• fix: remove slash from f-str

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• Merge branch 'main' of https://github.com/CompRhys/aviary

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• fea: faster implementations to get wyckoffs from isopointal and composition

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Commits on Jul 9, 2024

• fea: use cache to speed up embedding construction

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• fea: faster data loading

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Commits on Jul 8, 2024

• fea: don't calculate ens values if only one learner

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• maint: raise type error if isopointal_proto input is not str

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Commits on Jul 2, 2024

• fix: predict_from_wandb_checkpoints allow to return when target col is none

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• [pre-commit.ci] pre-commit autoupdate (#82)

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