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httk / wyckoffdiff Public

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FWD and other evaluation metrics#14

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filipekstrm wants to merge 4 commits intomainhttk/wyckoffdiff:mainfrom

fwdhttk/wyckoffdiff:fwdCopy head branch name to clipboard

Conversation Commits4 (4)Checks Files changed

Open

FWD and other evaluation metrics#14
filipekstrm wants to merge 4 commits intomainfrom
fwd

Commits

Commits on Mar 12, 2026

Evaluation runner, and evaluation functions. Moved compare_hash to common utils
filipekstrm
committed
remove some CAPS in readme
filipekstrm
committed
minor fixes
filipekstrm
committed
Some notes about pre-trained Wrenformer weights and compatibility with data from other models
filipekstrm
committed

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