Component Identification with Raman Spectroscopy Made Easy
☆19Jan 16, 2025Updated last year
Alternatives and similar repositories for EasyCID
Users that are interested in EasyCID are comparing it to the libraries listed below
Sorting:
- We apply deep learning approaches to accurately identify 30 common bacterial pathogens, achieving an average isolate-level accuracy of ov…☆13Feb 27, 2021Updated 5 years ago
- A fast and efficient spectra standardization algorithm.☆11May 2, 2019Updated 6 years ago
- Generator useful to handle Raman spectra data augmentation for deep learning models☆28Aug 21, 2023Updated 2 years ago
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆51Jan 3, 2020Updated 6 years ago
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆17Jun 19, 2023Updated 2 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years ago
- ☆15Nov 26, 2021Updated 4 years ago
- A Universal and Accurate Method for Easily Component identification in Raman Spectroscopy Based on Deep Learning☆35Nov 2, 2025Updated 4 months ago
- Python library for chemometric data analysis☆36Oct 16, 2022Updated 3 years ago
- ☆38Mar 18, 2022Updated 3 years ago
- R Package for Systematic Optimization of Metabolomic Data Processing☆17Apr 4, 2025Updated 11 months ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Sep 1, 2025Updated 6 months ago
- Baseline correction, smoothing, processing and plotting of Raman spectra☆28May 18, 2024Updated last year
- Intelligent background-correction algorithm for highly fluorescent sample in Raman spectroscopy☆25Dec 17, 2019Updated 6 years ago
- ☆11Apr 10, 2022Updated 3 years ago
- ☆14Mar 6, 2022Updated 3 years ago
- This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable num…☆12May 21, 2024Updated last year
- ☆11Nov 30, 2024Updated last year
- Python code to identify and calculate decomposition of materials using Raman spectroscopy☆29Dec 31, 2020Updated 5 years ago
- A known-to-unknown metabolite identification workflow☆21Sep 15, 2020Updated 5 years ago
- A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data☆26Jan 21, 2024Updated 2 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆10Feb 20, 2024Updated 2 years ago
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 2 years ago
- Collisional cross-section prediction for modified and multiconformational peptides☆13Feb 18, 2026Updated 2 weeks ago
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- ☆12Jan 16, 2025Updated last year
- NMR structure elucidation☆18Jun 16, 2025Updated 8 months ago
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated last month
- ☆11Dec 27, 2021Updated 4 years ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- ☆11Feb 5, 2024Updated 2 years ago
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 3 years ago
- DLL and SO from Bruker.☆12Feb 25, 2026Updated last week
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 3 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- Predicting molecular structure from multimodal spectroscopic data☆19Updated this week
- DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis…☆14Jan 22, 2026Updated last month
- ☆13May 10, 2021Updated 4 years ago
- The purpose of this repository is to use Transfer Learning in order to classify patients affected by Amyotrophic Lateral Sclerosis using …☆13Mar 10, 2021Updated 4 years ago