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
更新於 1/18/2026
星標
0
分支
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.
安裝
$ install --globalskills.sh
使用
安裝後，您可以透過在終端機執行以下指令來使用此技能：
skills use lucy-ngdereplicate