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    62 repositories

    • aopmapper

      Public
      AOPMapper
      aopenanomapperaopwiki
      aopenanomapperaopwiki
      JavaScript
      •
      Apache License 2.0
      •0•0•0•3•Updated Apr 28, 2026Apr 28, 2026

    • qubounds

      Public
      QU-bounds is a model-agnostic uncertainty quantification framework that wraps predictive models with conformal calibration to produce statistically valid predic…
      Python
      •0•0•0•0•Updated Apr 27, 2026Apr 27, 2026

    • templateforge

      Public
      Data entry template designer for enanomapper / AMBIT data
      JavaScript
      •
      MIT License
      •0•0•14•5•Updated Apr 23, 2026Apr 23, 2026

    • templates-api

      Public
      A web API for the AMBIT / eNanoMapper data entry templates
      Python
      •
      MIT License
      •0•0•2•11•Updated Apr 21, 2026Apr 21, 2026

    • pynanomapper

      Public
      A Python client for the eNanoMapper API
      cheminformaticsambitenanomapper
      cheminformaticsambitenanomappernanoinformatics
      Python
      •
      MIT License
      •1•0•2•5•Updated Apr 20, 2026Apr 20, 2026

    • orange3-toxfairy

      Public
      Python library and Orange3 widget for high-throughput screening data preprocessing, toxicity scoring, and FAIRification
      toxicologyhtsfair
      toxicologyhtsfairdata-preprocessingfair-datatoxicityhigh-throughput-screeningfairification
      Python
      •
      MIT License
      •1•0•0•0•Updated Mar 20, 2026Mar 20, 2026

    • quarkus-vega-cli

      Public
      Command line wrapper of VEGA GUI
      Java
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Feb 23, 2026Feb 23, 2026

    • ambit-mirror

      Public
      GitHub read-only mirror of AMBIT
      bioinformaticschemistrycheminformatics
      bioinformaticschemistrycheminformaticsrest-apiwekacdkambittoxtreeopentox
      Java
      •5•8•0•1•Updated Jan 19, 2026Jan 19, 2026

    • pyambit

      Public
      Python implementation of AMBIT data model https://ambit.sourceforge.net/
      Python
      •
      MIT License
      •0•0•2•11•Updated Jan 13, 2026Jan 13, 2026

    • covmetrics

      Public
      Conditional coverage metrics for set rules prediction.
      Python
      •
      MIT License
      •1•0•0•0•Updated Jan 5, 2026Jan 5, 2026

    • ambit-docker

      Public
      Run the AMBIT services on Docker
      dockerdatabasetoxicology
      dockerdatabasetoxicologycheminformaticscontainerpredictioncontainerizationambitenanomappernanoinformatics
      Shell
      •
      MIT License
      •0•2•0•1•Updated Dec 10, 2025Dec 10, 2025

    • notebooks-ambit

      Public
      Notebooks demonstrating interaction with AMBIT API
      HTML
      •3•6•1•0•Updated Nov 26, 2025Nov 26, 2025

    • fastprop

      Public
      Fast Molecular Property Prediction with mordredcommunity
      Python
      •
      MIT License
      •10•0•0•0•Updated Aug 14, 2025Aug 14, 2025

    • AopXml

      Public
      C#
      •1•0•0•0•Updated Jul 2, 2025Jul 2, 2025

    • hpstatements

      Public
      H and P statements, GHS hazard and precautionary statements, CLP regulation
      4•0•0•0•Updated Mar 21, 2025Mar 21, 2025

    • octotools

      Public
      OctoTools: An agentic framework with extensible tools for complex reasoning
      Python
      •
      Creative Commons Attribution 4.0 International
      •186•0•0•0•Updated Feb 19, 2025Feb 19, 2025

    • llm_processes

      Public
      Python
      •
      MIT License
      •9•0•0•0•Updated Feb 15, 2025Feb 15, 2025

    • qmrf

      Public
      (Q)SAR Model Reporting Format Inventory
      Java
      •0•0•0•0•Updated Jan 9, 2025Jan 9, 2025

    • conan-ml

      Public
      Python
      •
      GNU General Public License v2.0
      •5•0•0•0•Updated Aug 21, 2024Aug 21, 2024

    • h5pyd

      Public
      h5py distributed - Python client library for HDF Rest API
      Python
      •
      Other
      •44•0•0•0•Updated Jul 8, 2024Jul 8, 2024

    • crepes

      Public
      Conformal classifiers, regressors and predictive systems
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •44•0•0•0•Updated Jan 9, 2024Jan 9, 2024

    • identifiers

      Public
      European Registry of Materials
      Creative Commons Zero v1.0 Universal
      •4•1•0•0•Updated Oct 23, 2023Oct 23, 2023

    • ontologies

      Public
      The eNanoMapper ontology
      Python
      •
      Other
      •15•0•0•0•Updated Oct 23, 2023Oct 23, 2023

    • jToxKit

      Public
      jToxKit new generation
      JavaScript
      •
      MIT License
      •2•2•18•3•Updated Sep 24, 2023Sep 24, 2023

    • xlsx-datafill

      Public
      Scalable, template based data population for Excel XLSX spreadsheets in JS.
      JavaScript
      •
      MIT License
      •3•8•10•12•Updated Sep 24, 2023Sep 24, 2023

    • cdk

      Public
      The Chemistry Development Kit
      Java
      •
      GNU Lesser General Public License v2.1
      •175•0•2•0•Updated Aug 22, 2023Aug 22, 2023

    • oranchada

      Public
      Orange workflow add-on for processing Raman spectra
      Python
      •
      MIT License
      •3•0•0•0•Updated May 4, 2023May 4, 2023

    • anno-tip

      Public
      Annotation library for the web
      webannotationannotator
      webannotationannotatortippytippyjs
      JavaScript
      •
      MIT License
      •0•1•0•17•Updated Jan 6, 2023Jan 6, 2023

    • AmbitJsX

      Public
      JavaScript-based UI for AMBIT
      toxicologycheminformaticsambit
      toxicologycheminformaticsambitnanoinformatics
      JavaScript
      •
      MIT License
      •0•0•0•4•Updated Dec 30, 2022Dec 30, 2022

    • SolrJsX

      Public
      A JavaScript client library for managing Solr requests
      JavaScript
      •
      MIT License
      •2•0•1•3•Updated Dec 7, 2022Dec 7, 2022
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