Qiong-Yang / FastEI
Ultra-fast and Accurate Spectrum Matching
☆24Updated last year
Alternatives and similar repositories for FastEI:
Users that are interested in FastEI are comparing it to the libraries listed below
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆56Updated this week
- Predicting tandem mass spectra from molecules☆81Updated last year
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆22Updated last year
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆50Updated 7 months ago
- A python client for the ClassyFire API☆16Updated 4 years ago
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆35Updated 9 months ago
- ☆61Updated 4 months ago
- TidyMS: Tools for working with MS data in untargeted metabolomics☆55Updated 6 months ago
- ☆31Updated last month
- DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)☆23Updated this week
- a python package for molecular formula analysis in MS-based small molecule studies☆23Updated 2 weeks ago
- ☆33Updated 3 weeks ago
- deep learning based prediction of structures and functional groups from MS/MS spectra☆9Updated 11 months ago
- ☆15Updated 3 years ago
- ☆22Updated last year
- ☆20Updated last week
- ☆17Updated 8 months ago
- ☆23Updated 11 months ago
- Smash molecule and obtain significant fragments☆17Updated 3 years ago
- Fiora is an in silico fragmentation algorithm for small compounds that produces simulated tandem mass spectra (MS/MS). The framework empl…☆26Updated this week
- The similarity score for spectral comparison☆74Updated 6 months ago
- Tandem Mass Spectrum Prediction with Graph Transformers☆78Updated 4 months ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆26Updated last year
- A known-to-unknown metabolite identification workflow☆19Updated 4 years ago
- Flash entropy search☆14Updated last year
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆28Updated 3 weeks ago
- Mass Spectrometry for Small Molecules using Deep Learning☆115Updated 3 years ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆21Updated 3 weeks ago
- A small library to provide peak picking for software processing mass spectrometry data☆20Updated last month
- ☆10Updated 2 years ago