computational-chemistryresearch
lucy-ngdereplicate
Dereplication only - match observed 13C shifts against reference databases to identify known compounds. Use for quick checks if a compound is already known before deciding whether full CASE is needed.
maintainer
steinbeck
Обновлено 1/18/2026
Звёзды
0
Форки
0
quick start
Installation and usage
Dereplication only - match observed 13C shifts against reference databases to identify known compounds. Use for quick checks if a compound is already known before deciding whether full CASE is needed.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use lucy-ngdereplicate