KavrakiLab / Spec2MolLinks
☆23Updated 2 years ago
Alternatives and similar repositories for Spec2Mol
Users that are interested in Spec2Mol are comparing it to the libraries listed below
Sorting:
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆60Updated last year
- ☆10Updated 3 years ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆27Updated last year
- ☆66Updated 10 months ago
- ☆25Updated 3 years ago
- Predicting tandem mass spectra from molecules☆98Updated last week
- ☆32Updated 6 months ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆22Updated last month
- ☆26Updated last year
- The code for the QuickVina homepage.☆34Updated 2 years ago
- Predicting glycan structure from LC-MS/MS data