Ryan21wy / EasyCIDLinks
Component Identification with Raman Spectroscopy Made Easy
☆16Updated 9 months ago
Alternatives and similar repositories for EasyCID
Users that are interested in EasyCID are comparing it to the libraries listed below
Sorting:
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆13Updated last year
- ☆13Updated 3 years ago
- NMR structure elucidation☆14Updated 4 months ago
- ☆12Updated 3 years ago
- A fast and efficient spectra standardization algorithm.☆11Updated 6 years ago
- ☆11Updated 3 years ago
- ☆15Updated 3 years ago
- Chemometric analysis methods implemented in python☆13Updated 3 months ago
- A Universal and Accurate Method for Easily Component identification in Raman Spectroscopy Based on Deep Learning☆32Updated last year
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10Updated 3 years ago
- This package is a python warpper for CFM-ID☆13Updated 3 years ago
- python toolkit for calibration of near infrared ( NIR) spectra☆17Updated 10 months ago
- Generator useful to handle Raman spectra data augmentation for deep learning models☆27Updated 2 years ago
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆17Updated 2 years ago
- The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"☆28Updated 9 months ago
- Python notebooks for teaching analytical chemistry☆14Updated 4 years ago
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Updated last year
- ☆27Updated 4 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆24Updated 2 years ago
- Python package to handle and analyze GC-IMS data.☆17Updated 2 weeks ago
- ☆11Updated 11 months ago
- Python library for chemometric data analysis☆34Updated 3 years ago
- Cross-model Retrieval between 13C NMR Spectrum and Structure☆19Updated 4 years ago
- Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…☆12Updated 5 months ago
- DOSY processing☆10Updated 3 years ago
- Implementation of graph convolutional networks to predict chromatographic retention times.☆15Updated 4 years ago
- Framework for Raman spectroscopy analysis☆15Updated last year
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆48Updated 5 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆22Updated 2 weeks ago