Alternatives and similar repositories for ChromAlignNet:

Users that are interested in ChromAlignNet are comparing it to the libraries listed below

• rosalind-wang / GCPeakDetection
  peak detection code for gas chromatography data
  ☆15Updated 6 years ago
• XiaqiongFan / DeepResolution
  Deep-Learning-Based Multivariate Curve Resolution
  ☆14Updated 3 years ago
• Arseha / peakonly
  ☆114Updated 2 years ago
• sorenwacker / ms-peakonly
  Peak detection for untargeted metabolomics using Neural Network. High-level API based on peakonly by @Arseha.
  ☆16Updated last year
• YuanyueLi / SpectralEntropy
  The similarity score for spectral comparison
  ☆75Updated 2 months ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆32Updated 5 years ago
• XiaqiongFan / PC-CCA
  A fast and efficient spectra standardization algorithm.
  ☆11Updated 6 years ago
• iomega / spec2vec
  Word2Vec based similarity measure of mass spectrometry data.
  ☆66Updated 8 months ago
• hcji / PyCFMID
  This package is a python warpper for CFM-ID
  ☆13Updated 2 years ago
• zxguocsu / GCMSFormer
  A fully automatic method based on Transformer for resolution of overlapping peaks in gas chromatography-mass spectrometry
  ☆12Updated 3 months ago
• akensert / GCN-retention-time-predictions
  Implementation of graph convolutional networks to predict chromatographic retention times.
  ☆15Updated 3 years ago
• Bayer-Group / MOCCA
  ☆23Updated 4 months ago
• Qiong-Yang / FastEI
  Ultra-fast and Accurate Spectrum Matching
  ☆28Updated last year
• lkytal / PredFull
  This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network
  ☆29Updated last year
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆27Updated 3 months ago
• BiRG / pyopls
  A Python 3 implementation of orthogonal projection to latent structures
  ☆63Updated last year
• Qiong-Yang / GNN-RT
  ☆15Updated 3 years ago
• michaelmarty / AnalChem
  Python notebooks for teaching analytical chemistry
  ☆13Updated 4 years ago
• XiminHu / mass-suite
  ☆25Updated last year
• domdfcoding / pynist
  PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.
  ☆20Updated this week
• iomega / spec2vec_gnps_data_analysis
  Analysis and benchmarking of mass spectra similarity measures using gnps data set.
  ☆24Updated 3 years ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• michaelwitting / RepoRT
  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …
  ☆45Updated last month
• yyi17 / DeepGlyco
  Prediction of glycopeptide fragment mass spectra by deep learning
  ☆10Updated last year
• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆32Updated 4 years ago
• akensert / deep-learning-peak-detection
  Implementation of a deep learning model for peak detection in chromatograms.
  ☆18Updated 3 years ago
• larsyunker / PythoMS
  A series of python scripts which aid in the processing and interpretation of mass spectrometric data (formerly Mass-Spec-Python-Tools)
  ☆36Updated 5 years ago
• woshixuhao / Retention-Time-Prediction-for-Chromatographic-Enantioseparation
  The dataset, code, and software for the paper 'Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhan…
  ☆17Updated last year
• bihealth / NeatMS
  NeatMS is an open source python package for untargeted LCMS signal labelling and filtering.
  ☆32Updated 3 years ago
• pnnl / MSAC
  ☆23Updated last month