Qiong-Yang / FastEILinks
Ultra-fast and Accurate Spectrum Matching
☆31Updated 2 years ago
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☆71Updated this week
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Updated last year
- a python package for molecular formula analysis in MS-based small molecule studies☆32Updated 4 months ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆25Updated 2 years ago
- ☆33Updated 11 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆68Updated last year
- ☆36Updated last week
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆19Updated last year
- ☆28Updated last year
- Direct-to-SVG small molecule drawer.☆29Updated 9 months ago
- Mass Spectrometry for Small Molecules using Deep Learning☆131Updated 4 years ago
- ☆23Updated 8 months ago
- ☆22Updated 2 months ago
- Efficiently predicting high resolution mass spectra with graph neural networks☆30Updated 2 years ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆100Updated 2 weeks ago
- A known-to-unknown metabolite identification workflow☆21Updated 5 years ago
- This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network☆33Updated 2 years ago
- Official repository of open data MassBank records, with released versions also available from https://doi.org/10.5281/zenodo.3378723☆105Updated 3 weeks ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆22Updated last week
- A python client for the ClassyFire API☆16Updated 5 years ago
- ☆71Updated last year
- ☆27Updated 2 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆81Updated 3 weeks ago
- Word2Vec based similarity measure of mass spectrometry data.☆77Updated 2 weeks ago
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆30Updated 11 months ago
- ☆25Updated 4 months ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆23Updated last year
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆23Updated last month
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆37Updated 7 months ago
- Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…☆46Updated last month