usnistgov / UniSpecLinks
Implementation of UniSpec, a deep learning model for predicting full fragment ion peptide spectra.
☆12Updated last year
Alternatives and similar repositories for UniSpec
Users that are interested in UniSpec are comparing it to the libraries listed below
Sorting:
- Collisional cross-section prediction for modified and multiconformational peptides☆13Updated 3 weeks ago
- ☆16Updated 2 months ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆24Updated last year
- MS/MS prediction for peptides☆24Updated 5 years ago
- This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network☆34Updated 2 years ago
- Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics☆18Updated 7 years ago
- ☆37Updated last month
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Updated 2 years ago
- DeepLC: Retention time prediction for peptides carrying any modification.☆73Updated last month
- ☆12Updated 2 weeks ago
- a python package for molecular formula analysis in MS-based small molecule studies☆33Updated 2 weeks ago
- Rescoring and spectral library generation pipeline for proteomics.☆53Updated last week
- MS²PIP: Fast and accurate peptide spectrum prediction for multiple fragmentation methods, instruments, and labeling techniques.☆48Updated this week
- Libraries for fine isotopic structure calculator.☆41Updated last week
- Flash entropy search☆16Updated 2 years ago
- Pipeline for de novo peptide sequencing (Novor, DeepNovo, SMSNet, PointNovo, Casanovo) and assembly with ALPS.☆44Updated last year
- mzSpecLib: A standard format to exchange/distribute spectral libraries☆30Updated 3 months ago
- This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …☆59Updated 2 months ago
- Common utilities for parsing and handling peptide-spectrum matches and search engine results in Python☆29Updated last month
- ☆16Updated last week
- An open-source prediction framework for peptide ion collision cross section (CCS) values with python.☆15Updated 2 years ago
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆16Updated 3 years ago
- MassDash: A web-based dashboard for streamlined DIA-MS visualization, analysis, prototyping, and optimization☆21Updated last month
- A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations☆23Updated 8 months ago
- IsoCor: Isotope Correction for mass spectrometry labeling experiments☆25Updated 9 months ago
- ☆10Updated last year
- An open-source Python package to unify raw MS data accession and storage.☆31Updated last week
- pDeep: Predicting MS/MS Spectra of Peptides with Deep Learning☆42Updated 6 years ago
- Streamlining Mass Spectrometry Data Visualization with Pandas☆21Updated last week
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆71Updated last week