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Releases: markusorsi/mapchiral

Fixed encode_many

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@markusorsi markusorsi released this 17 Oct 12:21

Merged PR to correct the encode_many function.

Second release

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@markusorsi markusorsi released this 27 Oct 11:36

Removed the class object and distribute the functions as a simple package. Fixed the parallelization.

First Release

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@markusorsi markusorsi released this 26 Oct 14:20

First release of the chiral version of the minhashed atom-pair fingerprint. Contains a functioning parallelization and the option to map the hashes to their corresponding shingles.