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computational-chemistryresearch

molecular-similarity-search

Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.

SpectrAI-Initiative
maintainer
SpectrAI-Initiative
Обновлено 4/2/2026
Звёзды
371
Форки
23
quick start

Installation and usage

Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.

Установка
$ install --globalskills.sh
Использование

После установки вы можете использовать этот skill, выполнив следующую команду в терминале:

skills use molecular-similarity-search