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
اپ ڈیٹ ہوا 1/18/2026
اسٹارز
0
فورکس
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.
انسٹالیشن
$ install --globalskills.sh
استعمال
انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:
skills use lucy-ngdereplicate