An editor to View and Edit Chemical Spectra data (NMR, IR and MS).
☆16Updated this week
Alternatives and similar repositories for react-spectra-editor
Users that are interested in react-spectra-editor are comparing it to the libraries listed below
Sorting:
- A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.☆16Updated this week
- ☆12Jul 28, 2022Updated 3 years ago
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 3 years ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 3 years ago
- DOSY processing☆10Mar 11, 2022Updated 3 years ago
- ☆11Apr 10, 2022Updated 3 years ago
- ☆11Nov 30, 2024Updated last year
- ☆14Mar 6, 2022Updated 3 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated 5 months ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆64Mar 27, 2023Updated 2 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆10Feb 20, 2024Updated 2 years ago
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated last month
- NMR structure elucidation☆18Jun 16, 2025Updated 8 months ago
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- ☆11Feb 5, 2024Updated 2 years ago
- ☆12Jan 16, 2025Updated last year
- GAMMA C++ and PyGAMMA wrapped code packages☆10Sep 8, 2025Updated 5 months ago
- Collisional cross-section prediction for modified and multiconformational peptides☆13Feb 18, 2026Updated last week
- ML Prediction for Rf values☆12Sep 8, 2022Updated 3 years ago
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago
- DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis…☆14Jan 22, 2026Updated last month
- DLL and SO from Bruker.☆12Updated this week
- Predicting molecular structure from multimodal spectroscopic data☆19Updated this week
- ☆13May 10, 2021Updated 4 years ago
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 3 years ago
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 4 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- ☆11Oct 14, 2023Updated 2 years ago
- Electronic Lab Notebook☆173Updated this week
- Prediction molecular structure from NMR spectra☆38Mar 19, 2024Updated last year
- Create .mzML files through the R Console☆12Aug 27, 2025Updated 6 months ago
- Python package to handle and analyze GC-IMS data.☆18Feb 10, 2026Updated 2 weeks ago
- python toolkit for calibration of near infrared ( NIR) spectra☆18Dec 27, 2024Updated last year
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- Shiny app for retention time prediction☆10Dec 1, 2025Updated 3 months ago
- Repo hosting the MetFrag website☆10Jan 24, 2025Updated last year
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆15Jun 1, 2023Updated 2 years ago
- A fast and efficient spectra standardization algorithm.☆11May 2, 2019Updated 6 years ago
- ☆13Jul 13, 2019Updated 6 years ago