Qiong-Yang / FastEILinks
Ultra-fast and Accurate Spectrum Matching
☆28Updated last year
Alternatives and similar repositories for FastEI
Users that are interested in FastEI are comparing it to the libraries listed below
Sorting:
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Updated last year
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆71Updated last month
- a python package for molecular formula analysis in MS-based small molecule studies☆31Updated 3 months ago
- Mass Spectrometry for Small Molecules using Deep Learning☆131Updated 4 years ago
- ☆32Updated 10 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆67Updated last year
- A python client for the ClassyFire API☆16Updated 5 years ago
- ☆28Updated last year
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆18Updated last year
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆24Updated 2 years ago
- Predicting tandem mass spectra from molecules☆112Updated last month
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Updated last month
- ☆68Updated last year
- ☆25Updated last year
- ☆26Updated 2 years ago
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆30Updated 9 months ago
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆38Updated last week
- ☆19Updated 6 months ago
- ☆21Updated last month
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆23Updated 3 weeks ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆20Updated last month
- Efficiently predicting high resolution mass spectra with graph neural networks☆29Updated 2 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆22Updated this week
- Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…☆39Updated 2 weeks ago
- A known-to-unknown metabolite identification workflow☆20Updated 5 years ago
- ☆25Updated 3 months ago
- ☆36Updated 4 months ago
- ☆51Updated 10 months ago
- Python-based Informatics Kit for Analysing Chemical Units☆73Updated last year
- Word2Vec based similarity measure of mass spectrometry data.☆73Updated last year