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computational-chemistryresearch
drugsda-mol-similarity
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.
maintainer
SpectrAI-Initiative
Обновлено 4/2/2026
Звёзды
371
Форки
23
quick start
Installation and usage
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use drugsda-mol-similarity