hserf / DOSY_NetLinks
DOSY processing
☆10Updated 3 years ago
Alternatives and similar repositories for DOSY_Net
Users that are interested in DOSY_Net are comparing it to the libraries listed below
Sorting:
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆12Updated 9 months ago
- Component Identification with Raman Spectroscopy Made Easy☆15Updated 6 months ago
- Chemometric analysis methods implemented in python☆13Updated this week
- Noise learning for Raman microscopy☆12Updated last year
- This package is a python warpper for CFM-ID☆13Updated 2 years ago
- Python notebooks for teaching analytical chemistry☆13Updated 4 years ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆23Updated 2 years ago
- Python library for chemometric data analysis☆32Updated 2 years ago
- ☆9Updated 4 years ago
- A fast solid-state NMR spectrum simulation and analysis library.☆39Updated last week
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆35Updated last year
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆42Updated 10 months ago
- A fast and efficient spectra standardization algorithm.☆11Updated 6 years ago
- ☆13Updated 3 years ago
- NMR structure elucidation☆11Updated last month
- Neural Message Passing for NMR Chemical Shift Prediction☆11Updated 2 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆16Updated 3 weeks ago
- A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline☆15Updated last year
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆149Updated this week
- nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.☆30Updated 3 months ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆28Updated last month
- Python script to lookup pKa values☆26Updated last month
- Automated analysis of LCMS data for high throughput chemistry experiments☆19Updated last month
- Implementation of PLS-DA and OPLS-DA for high dimensional data, like MS in metabolomics.☆34Updated 2 weeks ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆33Updated 6 years ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- organic chemistry reaction prediction using NMT with Attention☆48Updated 6 years ago
- Molecular Visualization powered by Plotly☆17Updated 2 years ago
- python toolkit for calibration of near infrared ( NIR) spectra☆15Updated 6 months ago