Chemical Information from the Web
☆186Oct 15, 2026Updated 2 weeks ago
Alternatives and similar repositories for webchem
Users that are interested in webchem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Tool for automated Optimization of XCMS Parameters☆34Nov 27, 2022Updated 3 years ago
- R package for fitting kinetic models with one or more state variables to chemical degradation data☆13Sep 7, 2026Updated last month
- OpenBabel wrapper package for R☆10Mar 12, 2026Updated 7 months ago
- The splash, this is the reference documentation☆26Oct 23, 2026Updated last week
- US EPA's Toxicity Reference Database (ToxRefDB)☆29Aug 13, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- data processing for MS-based metabolomics☆15May 28, 2026Updated 5 months ago
- An R package to fit and plot Species Sensitivity Distributions (SSDs)☆40Sep 1, 2026Updated last month
- 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
- The Open Spectral Database - Its all about the data☆18Aug 7, 2024Updated 2 years ago
- Molecular graph neural networks for predicting chemical properties, with a focus on fuels☆34Jul 23, 2026Updated 3 months ago
- US EPA's ctxR: Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computation…☆23Updated this week
- Fitting dose-response models in R☆29Oct 11, 2026Updated 2 weeks ago
- mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data☆14Apr 9, 2016Updated 10 years ago
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Sep 24, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Applications using AMBIT and examples how to call AMBIT modules☆15Feb 19, 2022Updated 4 years ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- Cheminformatics Toolkit for R☆17Mar 12, 2026Updated 7 months ago
- A processing pipeline for the summarization, normalization and diagnostics of mass spectrometry–based metabolomics data.☆10Jan 17, 2026Updated 9 months ago
- ChemMine Tools: open source web framework for small molecule analysis☆42Dec 8, 2022Updated 3 years ago
- The R for Mass Spectrometry Initiative home page☆14May 22, 2026Updated 5 months ago
- Python wrapper for the ChemSpider API☆119Sep 9, 2018Updated 8 years ago
- Chemical Abstracts Service (CAS) Registry Number Validation☆10Mar 12, 2014Updated 12 years ago
- R MSI Tools☆15Nov 29, 2021Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- depict package for drawing molecules in R☆11Mar 5, 2024Updated 2 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- R-based access to Mass-Spectrometry data☆25Oct 7, 2026Updated 3 weeks ago
- R package baseline☆12Sep 25, 2026Updated last month
- The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in v…☆32Apr 28, 2026Updated 6 months ago
- R Interface to the ClassyFire REST API☆15Aug 21, 2026Updated 2 months ago
- Simplified and standard interface to a number of cheminformatics toolkits☆89Nov 4, 2023Updated 2 years ago
- A curated list of Cheminformatics libraries and software.☆895Mar 15, 2024Updated 2 years ago
- Molecule Validation and Standardization☆189Apr 16, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Compile Mass Spectral Libraries from Various Sources☆21May 3, 2024Updated 2 years ago
- This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis☆236Oct 8, 2026Updated 3 weeks ago
- Automatically extract chemical information from scientific documents☆367Jul 27, 2023Updated 3 years ago
- ☆17Apr 19, 2021Updated 5 years ago
- Metabolomics Tools for Galaxy☆22Nov 22, 2016Updated 9 years ago
- Repeat-injection-based quality control, batch correction, exploration, & data cleaning.☆13Oct 22, 2026Updated last week
- QC systems for metabolomics studies☆11Oct 8, 2026Updated 3 weeks ago