Ryan21wy / EasyCID
Component Identification with Raman Spectroscopy Made Easy
☆14Updated last year
Related projects ⓘ
Alternatives and complementary repositories for EasyCID
- Generator useful to handle Raman spectra data augmentation for deep learning models☆20Updated last year
- A Universal and Accurate Method for Easily Component identification in Raman Spectroscopy Based on Deep Learning☆25Updated last month
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆41Updated 4 years ago
- A fast and efficient spectra standardization algorithm.☆11Updated 5 years ago
- python toolkit for calibration of near infrared ( NIR) spectra☆11Updated 10 months ago
- Especially useful for preprocessing of datasets like Raman spectra, infrared spectra, UV/Vis spectra, but also HPLC data and many other t…☆14Updated last year
- Implementation of PLS-DA and OPLS-DA for high dimensional data, like MS in metabolomics.☆27Updated 4 months ago
- Python library for chemometric data analysis☆30Updated 2 years ago
- Framework for Raman spectroscopy analysis☆12Updated 6 months ago
- ☆14Updated 2 years ago
- Deep Convolutional Neural Networks for Raman Spectrum Recognition. (RRUFF dataset)☆27Updated 4 years ago
- Baseline correction, smoothing, processing and plotting of Raman spectra☆20Updated 6 months ago
- ☆10Updated 2 years ago
- Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).☆58Updated last month
- Chemometric analysis methods implemented in python☆9Updated last week
- ☆32Updated 2 years ago
- Repository containing code for analysis of Raman and IR spectra datasets☆26Updated 3 years ago
- pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets☆38Updated 4 months ago
- Python code to identify and calculate decomposition of materials using Raman spectroscopy☆23Updated 3 years ago
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆15Updated last year
- Python notebooks for teaching analytical chemistry☆12Updated 3 years ago
- DeepeR: deep learning enabled Raman spectroscopy☆72Updated 11 months ago
- Source code and demos for "Rapid identification of pathogenic bacteria using Raman spectroscopy and deep learning"☆88Updated 5 years ago
- ☆21Updated 2 years ago
- Integrate your chemometric tools with the scikit-learn API 🧪 🤖☆47Updated 3 months ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆17Updated last year
- Graph based Reaction Template Extraction☆19Updated last week
- Ultra-fast and Accurate Spectrum Matching☆24Updated 11 months ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆9Updated 2 years ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆17Updated 2 months ago