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fix model instantiation
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#137:
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calculate ppv / npv directly from confusion matrix
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Utilize new prediction pipeline
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fix pred error
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remove device error
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add lopster classifiers
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pre-commit
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Avoid gradient tracking
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avoid gradients tracking, for faster inference and less memory consum…
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add missing dependencies
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Bump version from 1.1.1 to 1.2.0
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Merge pull request #20 from ChEB-AI/fix/chebi-lookup
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gentle smiles parsing for lookup
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gentle smiles parsing for lookup
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Merge pull request #19 from ChEB-AI/feature/ensemble-update
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Ensemble update
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update example config
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update readme
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update readme
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use score-based inconsistency resolution
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add label for separating direct and indirect is-a relations
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add single chemlog model
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add alpha / beta parameters for weighting, verbose output, dont save …
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