Qiong-Yang / FastEI
Ultra-fast and Accurate Spectrum Matching
☆25Updated last year
Alternatives and similar repositories for FastEI:
Users that are interested in FastEI are comparing it to the libraries listed below
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆22Updated 2 years ago
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆59Updated last week
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆51Updated 8 months ago
- a python package for molecular formula analysis in MS-based small molecule studies☆24Updated this week
- ☆23Updated last year
- ☆32Updated 2 months ago
- A python client for the ClassyFire API☆16Updated 4 years ago
- ☆22Updated last year
- DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)☆23Updated last week
- Fiora is an in silico fragmentation algorithm for small compounds that produces simulated tandem mass spectra (MS/MS). The framework empl…☆26Updated this week
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆28Updated 2 months ago
- A known-to-unknown metabolite identification workflow☆19Updated 4 years ago
- ☆17Updated 9 months ago
- Predicting tandem mass spectra from molecules☆85Updated last year
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Updated 11 months ago
- A small library to provide peak picking for software processing mass spectrometry data☆21Updated 2 months ago
- ☆10Updated 2 years ago
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆12Updated 4 months ago
- ☆33Updated 2 months ago
- ☆15Updated 3 years ago
- ☆62Updated 6 months ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆26Updated last year
- ☆11Updated 3 weeks ago
- ☆22Updated last year
- Flash entropy search☆14Updated last year
- MOlecule fRagmenTAtion fRamework☆20Updated last week
- Direct-to-SVG small molecule drawer.☆24Updated this week
- Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.☆27Updated last week
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆21Updated 2 months ago