KHMN - Browse Files at SourceForge.net

The interactive file manager requires Javascript. Please enable it or use sftp or scp.
You may still browse the files here.

Name	Modified	Size
Output_files	2023-09-09
annotation_file	2023-09-09
seed_mgf_file	2023-09-09
new_mgf_file	2023-09-09
mgf_file	2023-09-09
feature_file	2023-09-09
3.2 MS2 Input and Filtering_Batch Conversion.spydata	2023-09-10	50.3 MB
4 New MS2 Loading.spydata	2023-09-10	50.5 MB
5 Seed Metabolites MS2 Input.spydata	2023-09-10	50.5 MB
6 Seed Metabolites Identification and Marking.spydata	2023-09-10	50.5 MB
7 MS2 Similarity and Molecular Network Generation.spydata	2023-09-10	28.4 MB
8 Candidates Features Screening.spydata	2023-09-10	28.4 MB
9.2 Nodes and Edges Annotation of CGFs.spydata	2023-09-10	38.3 MB
10 Redundancy Removal.spydata	2023-09-10	38.3 MB
Totals: 14 Items		335.3 MB

Other Useful Business Software

Our Free Plans just got better! | Auth0

With up to 25k MAUs and unlimited Okta connections, our Free Plan lets you focus on what you do best—building great apps.

You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.

Try free now

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

Recommended Projects

SGMNS
Large-scale metabolite annotation is a bottleneck in untargeted metabolomics. Here, we present a structure-guided molecular network strategy (SGMNS) for deep annotation of untargeted ultra-performance liquid chromatography-high resolution mass spectrometry-based metabolomics data. SGMNS used a global connectivity molecular network (GCMN), which was constructed by the structural similarity of metabolites. When the annotation was performed, experimental MS/MS spectra of known metabolites as seeds were assigned to corresponding neighbor metabolites in GCMN as their “pseudo” spectra, and the propagation was performed by searching predicted retention times, MS1 and “pseudo” spectra against metabolite features. Then, the annotated metabolite features were used as new seeds for annotation propagation again. A total of 2,041 metabolites were annotated from a pooled biological sample, and the annotation accuracy was > 83% with RSD < 2%.
Raman Tool Set
Analysis of Raman spectra and spectroscopy data.
Gabedit
Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
ChemCrow
Chemcrow
SpectraViever
GUI app to view Veritas, MAX IV data

KHMN Files