GitHub topics: structure-elucidation
sirius-ms/sirius
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
Language: Java - Size: 162 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 105 - Forks: 29
michaelwenk/sherlock-frontend
Frontend for Sherlock
Language: TypeScript - Size: 7.15 MB - Last synced at: 3 months ago - Pushed at: about 2 years ago - Stars: 3 - Forks: 3
michaelwenk/sherlock
Web Services for Computer-Assisted Structure Elucidation (CASE)
Language: Java - Size: 71.1 MB - Last synced at: 3 months ago - Pushed at: almost 2 years ago - Stars: 5 - Forks: 2
clzani/DEREP-NP
Repository for files related to DEREP-NP dereplication database
Size: 245 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 1 - Forks: 0
fsentin/diterpene Fork of anaterovic/TFRTML
Chemical Structure Elucidation with ML
Size: 1.15 MB - Last synced at: over 1 year ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
michaelwenk/casekit Fork of steinbeck/casekit
Computational library for Computer-Assisted Structure Elucidation (CASE).
Language: Java - Size: 820 KB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 1