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computational-chemistryresearch

zinc-database

Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.

foryourhealth111-pixel
maintainer
foryourhealth111-pixel
Обновлено 3/3/2026
Звёзды
1349
Форки
105
quick start

Installation and usage

Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.

Установка
$ install --globalskills.sh
Использование

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

skills use zinc-database