A Python module for processing NMR spectra.
☆41Aug 29, 2026Updated last month
Alternatives and similar repositories for nmrpy
Users that are interested in nmrpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format☆38Feb 24, 2026Updated 7 months ago
- Analyzing thin-layer chromatography (TLC) chromatograms☆18May 6, 2024Updated 2 years ago
- A module for working with NMR data in Python☆276Updated this week
- ☆13Nov 5, 2020Updated 5 years ago
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆81Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Small angle scattering tools ... but unlike most others, free.☆13Updated this week
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Automated spectraL Processing System for NMR☆17Aug 26, 2026Updated last month
- nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.☆33Mar 27, 2025Updated last year
- Python module for parsing, writing, aligning, and manipulating glycan structrures☆10Updated this week
- A fast solid-state NMR spectrum simulation and analysis library.☆48Sep 22, 2026Updated 2 weeks ago
- A spin dynamics simulation package that covers the whole of magnetic resonance spectroscopy and imaging.☆41Updated this week
- ☆18Sep 4, 2022Updated 4 years ago
- Brent's code for FTIR deconvolution☆12Dec 17, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- In silico chemical library engine for high-accuracy chemical property prediction☆64May 2, 2025Updated last year
- Accelerated molecular crystal structure determination from powder diffraction data☆14Jun 20, 2025Updated last year
- A program for the analysis of NMR data.☆31Jun 23, 2024Updated 2 years ago
- ☆24Dec 1, 2019Updated 6 years ago
- ☆15Sep 28, 2024Updated 2 years ago
- Graph neural network for predicting NMR chemical shifts☆55May 6, 2022Updated 4 years ago
- Syntax highlighting for Orca input files in vim☆16Aug 29, 2022Updated 4 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆72Mar 27, 2023Updated 3 years ago
- ☆19Aug 10, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Python package for analysing the results of tensile tests☆10Jan 14, 2021Updated 5 years ago
- Smart Stirrer☆11Aug 17, 2020Updated 6 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 5 years ago
- NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.☆25May 3, 2025Updated last year
- tg fitness tracking bot☆15Sep 6, 2026Updated last month
- predicting AlogP with machine or deep learning☆10Feb 28, 2021Updated 5 years ago
- DOSY processing☆11Mar 11, 2022Updated 4 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆36Feb 3, 2026Updated 8 months ago
- Some shell scripts related to Thermo Fisher raw format conversion using msconvert☆15Feb 10, 2026Updated 8 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- A collection of spectral collocation differentiation matrices☆12Jul 11, 2025Updated last year
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Mar 25, 2019Updated 7 years ago
- Opensource software to model heterogeneous catalytic reactions. Based on Cantera☆20Jan 18, 2024Updated 2 years ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- FOSS Resources for Spectroscopy☆21Nov 25, 2025Updated 10 months ago
- WebThings framework.☆21Nov 25, 2022Updated 3 years ago