A course in chemometric (data) carpentry.
☆11Dec 5, 2024Updated last year
Alternatives and similar repositories for chemometric-carpentry
Users that are interested in chemometric-carpentry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Chemometric analysis methods implemented in python☆15Updated this week
- Implementation of paper "DeeCLIP: A Robust and Generalizable Transformer-Based Framework for Detecting AI-Generated Images"☆15Jan 29, 2026Updated 9 months ago
- R functions for automation of biomarker discovery based on processing downstream of large LC-MS datasets from any peak picking software☆10May 17, 2017Updated 9 years ago
- ☆32Mar 14, 2021Updated 5 years ago
- This repository contains a Node.js scraper for educational purposes, extracting detailed data from PCPartPicker using ZenRows. It covers …☆13Oct 18, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆11Oct 22, 2026Updated last week
- General Python utilities commonly used in the RXN universe☆11Feb 13, 2024Updated 2 years ago
- User interface to reanalyze and explore all public data in Metabolomics Public Data☆12Oct 18, 2023Updated 3 years ago
- Data classification using Accord.NET framework☆11Oct 25, 2020Updated 6 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆18Sep 29, 2023Updated 3 years ago
- ☆10Jun 8, 2023Updated 3 years ago
- Source code of AllCCS. Prediction function was provided in AllCCS web server (http://allccs.zhulab.cn/).☆10Mar 1, 2022Updated 4 years ago
- Convert SMILES (chemical structure) to one-hot matrix.☆10Jan 27, 2021Updated 5 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Collisional cross-section prediction for modified and multiconformational peptides☆15Aug 26, 2026Updated 2 months ago
- ☆11Apr 10, 2022Updated 4 years ago
- Formula IDentification from tandem mass spectra by Deep LEarning☆17Updated this week
- ☆11Nov 30, 2024Updated last year
- ☆14Dec 8, 2025Updated 10 months ago
- Testing out GCNN for charge prediction☆12Nov 27, 2025Updated 11 months ago
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆12Feb 20, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 6 months ago
- ☆13Jan 16, 2025Updated last year
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- ☆13May 10, 2021Updated 5 years ago
- yHydra is a GPU-accelerated open search for MS-based proteomics data.☆11Jan 19, 2025Updated last year
- uvx is now uvenv☆16Dec 4, 2024Updated last year
- This is a R package for alignment of DIA mass-spec data☆12Jan 31, 2026Updated 8 months ago
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 4 years ago
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- DLL and SO from Bruker.☆12Feb 25, 2026Updated 8 months ago
- ☆14Apr 12, 2023Updated 3 years ago
- A Flask webapp that categorizes Outlook emails using machine learning☆15Aug 20, 2015Updated 11 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Jan 8, 2026Updated 9 months ago
- ☆11Oct 21, 2026Updated last week
- MassKG is a knowledge-based computational tool for annotating mass spectra of natural products and discovering novel structures from crud…☆12Mar 8, 2025Updated last year