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stsouko
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Oct 14, 2023
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| class CircusFingerprint(MorganFingerprint): | ||
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| class CircusFingerprint(MorganFingerprint): | ||
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| __slots__ = () | ||
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implement analogs of:
linear_fingerprint
linear_bit_set
linear_hash_set
linear_hash_smiles
linear_smiles_hash
use _augmented_substructure algorithm to generate fragments and _morgan_hash_dict to get corresponding hashes
| number_bit_pairs=number_bit_pairs).values() for x in x} | ||
| fingerprints = zeros(length, dtype=uint8) | ||
| fingerprints[list(bits)] = 1 | ||
| return fingerprints |
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