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:
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆70Updated last week
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆35Updated last year
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆64Updated last year
- a python package for molecular formula analysis in MS-based small molecule studies☆31Updated last month
- ☆32Updated 8 months ago
- ☆69Updated last year
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆18Updated 10 months ago
- Mass Spectrometry for Small Molecules using Deep Learning☆130Updated 4 years ago
- Word2Vec based similarity measure of mass spectrometry data.☆72Updated last year
- ☆19Updated 5 months ago
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆30Updated 8 months ago
- A python client for the ClassyFire API☆16Updated 5 years ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆23Updated 2 years ago
- ☆23Updated 5 months ago
- ☆26Updated 2 years ago
- ☆15Updated 3 years ago
- ☆27Updated last year
- This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …☆52Updated last month
- This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network☆31Updated 2 years ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆28Updated 2 years ago
- ☆20Updated last year
- Predicting tandem mass spectra from molecules☆107Updated last month
- A known-to-unknown metabolite identification workflow☆20Updated 4 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆33Updated last week
- PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.☆21Updated last month
- ☆36Updated 3 months ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆36Updated 4 months ago
- Official repository of open data MassBank records, with released versions also available from https://doi.org/10.5281/zenodo.3378723☆102Updated 2 weeks ago
- NeatMS is an open source python package for untargeted LCMS signal labelling and filtering.☆33Updated 4 years ago
- ☆31Updated 4 months ago