A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.
☆16Apr 20, 2026Updated 2 weeks ago
Alternatives and similar repositories for chem-spectra-app
Users that are interested in chem-spectra-app are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- python toolkit for calibration of near infrared ( NIR) spectra☆18Dec 27, 2024Updated last year
- Go iRODS Client☆12Apr 29, 2026Updated last week
- FUSE implementation of iRODS Client written in Golang (iRODS FUSE Lite)☆13Jul 29, 2025Updated 9 months ago
- ☆12Mar 20, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆51Updated this week
- Python package for processing NMR Spectra☆11Jun 23, 2021Updated 4 years ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years ago
- Electronic Lab Notebook☆177Updated this week
- ☆11Apr 10, 2022Updated 4 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆11Feb 20, 2024Updated 2 years ago
- Predicting molecular structure from multimodal spectroscopic data☆26Mar 9, 2026Updated 2 months ago
- ☆12Jan 16, 2025Updated last year
- ☆11Nov 30, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Plotting mass spectra with Matplotlib☆35Nov 11, 2016Updated 9 years ago
- A graphical user interface to iRODS employing the iBridges python package.☆16Updated this week
- ☆12Feb 5, 2024Updated 2 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- A wrapper around the python-irodsclient to allow for easy interaction with iRODS servers.☆21Updated this week
- Collisional cross-section prediction for modified and multiconformational peptides☆13Apr 14, 2026Updated 3 weeks ago
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated 3 months ago
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆11Feb 20, 2026Updated 2 months ago
- Repo hosting the MetFrag website☆10Apr 6, 2026Updated last month
- Python driver for Wasatch Photonics spectrometers with demo app☆22Apr 29, 2026Updated last week
- ☆15Mar 6, 2022Updated 4 years ago
- Collection of Feature Selection Methods for Near-Infrared Spectroscopy☆22Sep 30, 2022Updated 3 years ago
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- DLL and SO from Bruker.☆12Feb 25, 2026Updated 2 months ago
- Plots IR spectra from from ORCA output files☆22Oct 2, 2024Updated last year
- ☆13May 10, 2021Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Shiny app for retention time prediction☆11Dec 1, 2025Updated 5 months ago
- data processing for MS-based metabolomics☆15Nov 10, 2024Updated last year
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆75May 1, 2026Updated last week
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 3 years ago
- NMR structure elucidation☆20Jun 16, 2025Updated 10 months ago
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆16Jun 1, 2023Updated 2 years ago
- Create .mzML files through the R Console☆12Aug 27, 2025Updated 8 months ago