ahmohamed / nmrproLinks
Python package for processing NMR Spectra
☆10Updated 4 years ago
Alternatives and similar repositories for nmrpro
Users that are interested in nmrpro are comparing it to the libraries listed below
Sorting:
- Using deep learning approaches and convolutional neural networks (CNN) for spectroscopical data (deep chemometrics)☆75Updated 6 years ago
- The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"☆28Updated 7 months ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆33Updated last week
- Chemometric analysis methods implemented in python☆13Updated last month
- NMR structure elucidation☆14Updated 2 months ago
- A fast and efficient spectra standardization algorithm.☆11Updated 6 years ago
- python toolkit for calibration of near infrared ( NIR) spectra☆15Updated 8 months ago
- Python notebooks for teaching analytical chemistry☆13Updated 4 years ago
- Python library for chemometric data analysis☆34Updated 2 years ago
- Component Identification with Raman Spectroscopy Made Easy☆15Updated 7 months ago
- pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets☆41Updated 4 months ago
- Molecular Reinforcement Learning☆14Updated 2 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Updated 3 years ago
- DOSY processing☆10Updated 3 years ago
- ANN based NMR peak picker☆20Updated last month
- Make valid molecular graphs!☆22Updated last year
- Autonomous characterization of molecular compounds from small datasets without descriptors☆44Updated 2 months ago
- Integrate your chemometric tools with the scikit-learn API 🧪 🤖☆60Updated this week
- ☆25Updated 4 years ago
- ☆11Updated last year
- A Python module for reading, writing, and manipulating NMR-STAR files.☆29Updated 3 months ago
- ☆11Updated 3 years ago
- ☆12Updated 3 years ago
- molecule design for fluorescence☆11Updated 3 years ago
- Some ideas on methods for comparing classification models☆10Updated 5 years ago
- This package is a python warpper for CFM-ID☆13Updated 3 years ago
- ☆13Updated 3 years ago
- Package for analyzing MS with Python☆10Updated 7 years ago
- A Universal and Accurate Method for Easily Component identification in Raman Spectroscopy Based on Deep Learning☆32Updated 11 months ago
- How to analyze molecular dynamics data with PyEMMA☆76Updated 6 years ago