Repositories list

• aopmapper

  Public
  AOPMapper

  aopenanomapperaopwiki

  aopenanomapperaopwiki

  JavaScript

  •

  Apache License 2.0

  •00 forks•22 stars•00 issues•1313 pull requests•Updated Oct 6, 2026Oct 6, 2026

• pynanomapper

  Public
  A Python client for the eNanoMapper API

  cheminformaticsambitenanomapper+ 1

  cheminformaticsambitenanomappernanoinformatics

  Python

  •

  MIT License

  •11 fork•00 stars•22 issues•11 pull request•Updated Oct 6, 2026Oct 6, 2026

• pyambit

  Public
  Python implementation of AMBIT data model https://ambit.sourceforge.net/

  Python

  •

  MIT License

  •00 forks•00 stars•22 issues•1212 pull requests•Updated Oct 5, 2026Oct 5, 2026

• notebooks-ambit

  Public
  Notebooks demonstrating interaction with AMBIT API

  HTML

  •33 forks•66 stars•11 issue•77 pull requests•Updated Oct 1, 2026Oct 1, 2026

• templateforge

  Public
  Data entry template designer for enanomapper / AMBIT data

  JavaScript

  •

  MIT License

  •00 forks•00 stars•1414 issues•88 pull requests•Updated Sep 24, 2026Sep 24, 2026

• qubounds

  Public
  QU-bounds is a model-agnostic uncertainty quantification framework that wraps QSAR predictive models with conformal calibration to produce statistically valid p…

  Python

  •

  Apache License 2.0

  •11 fork•00 stars•00 issues•00 pull requests•Updated Sep 23, 2026Sep 23, 2026

• templates-api

  Public
  A web API for the AMBIT / eNanoMapper data entry templates

  Python

  •

  MIT License

  •00 forks•00 stars•22 issues•1717 pull requests•Updated Sep 19, 2026Sep 19, 2026

• jtoxkit-react

  Public
  JavaScript

  •

  Apache License 2.0

  •00 forks•00 stars•00 issues•77 pull requests•Updated Sep 14, 2026Sep 14, 2026

• ambit-mirror

  Public
  GitHub read-only mirror of AMBIT

  bioinformaticschemistrycheminformatics+ 6

  bioinformaticschemistrycheminformaticsrest-apiwekacdkambittoxtreeopentox

  Java

  •55 forks•88 stars•00 issues•11 pull request•Updated Sep 11, 2026Sep 11, 2026

• qubounds-viewer

  Public
  JavaScript

  •

  Apache License 2.0

  •00 forks•00 stars•11 issue•66 pull requests•Updated Sep 11, 2026Sep 11, 2026

• qmrf-editor-ng

  Public
  Next-generation QMRF Editor built with React for authoring, editing, and managing QSAR Model Reporting Format (QMRF) reports . To replace the one at https://qmr…

  JavaScript

  •

  Apache License 2.0

  •00 forks•00 stars•00 issues•55 pull requests•Updated Sep 10, 2026Sep 10, 2026

• jna-inchi

  Public
  Wrapper to access InChI from Java

  Java

  •

  GNU Lesser General Public License v2.1

  •99 forks•00 stars•00 issues•00 pull requests•Updated Sep 7, 2026Sep 7, 2026

• oranchada

  Public
  Orange workflow add-on for processing Raman spectra

  Python

  •

  MIT License

  •33 forks•00 stars•00 issues•00 pull requests•Updated Sep 7, 2026Sep 7, 2026

• cdk

  Public
  The Chemistry Development Kit

  Java

  •

  GNU Lesser General Public License v2.1

  •180180 forks•00 stars•22 issues•00 pull requests•Updated Sep 7, 2026Sep 7, 2026

• h5pyd

  Public
  h5py distributed - Python client library for HDF Rest API

  Python

  •

  Other

  •4747 forks•00 stars•00 issues•00 pull requests•Updated Sep 7, 2026Sep 7, 2026

• jToxKit

  Public
  jToxKit new generation

  JavaScript

  •

  MIT License

  •22 forks•22 stars•1818 issues•33 pull requests•Updated Sep 4, 2026Sep 4, 2026

• octotools

  Public
  OctoTools: An agentic framework with extensible tools for complex reasoning

  Python

  •

  MIT License

  •188188 forks•00 stars•00 issues•00 pull requests•Updated Sep 3, 2026Sep 3, 2026

• mcp-aop

  Public
  00 forks•00 stars•00 issues•00 pull requests•Updated May 12, 2026May 12, 2026

• aopwiki_challenge

  Public
  AI-extracted KER XML for AI4AOP

  HTML

  •00 forks•00 stars•00 issues•00 pull requests•Updated May 6, 2026May 6, 2026

• quarkus-vega-cli

  Public
  Command line wrapper of VEGA GUI

  Java

  •

  GNU General Public License v3.0

  •11 fork•11 star•00 issues•00 pull requests•Updated May 3, 2026May 3, 2026

• orange3-toxfairy

  Public
  Python library and Orange3 widget for high-throughput screening data preprocessing, toxicity scoring, and FAIRification

  toxicologyhtsfair+ 5

  toxicologyhtsfairdata-preprocessingfair-datatoxicityhigh-throughput-screeningfairification

  Python

  •

  MIT License

  •11 fork•00 stars•00 issues•00 pull requests•Updated Mar 20, 2026Mar 20, 2026

• covmetrics

  Public
  Conditional coverage metrics for set rules prediction.

  Python

  •

  MIT License

  •11 fork•00 stars•00 issues•00 pull requests•Updated Jan 5, 2026Jan 5, 2026

• ambit-docker

  Public
  Run the AMBIT services on Docker

  dockerdatabasetoxicology+ 7

  dockerdatabasetoxicologycheminformaticscontainerpredictioncontainerizationambitenanomappernanoinformatics

  Shell

  •

  MIT License

  •00 forks•22 stars•00 issues•11 pull request•Updated Dec 10, 2025Dec 10, 2025

• fastprop

  Public
  Fast Molecular Property Prediction with mordredcommunity

  Python

  •

  MIT License

  •1212 forks•00 stars•00 issues•00 pull requests•Updated Aug 14, 2025Aug 14, 2025

• AopXml

  Public
  C#

  •11 fork•00 stars•00 issues•00 pull requests•Updated Jul 2, 2025Jul 2, 2025

• hpstatements

  Public
  H and P statements, GHS hazard and precautionary statements, CLP regulation

  44 forks•00 stars•00 issues•00 pull requests•Updated Mar 21, 2025Mar 21, 2025

• llm_processes

  Public
  Python

  •

  MIT License

  •1010 forks•00 stars•00 issues•00 pull requests•Updated Feb 15, 2025Feb 15, 2025

• qmrf

  Public
  (Q)SAR Model Reporting Format Inventory

  Java

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jan 9, 2025Jan 9, 2025

• conan-ml

  Public
  Python

  •

  GNU General Public License v2.0

  •66 forks•00 stars•00 issues•00 pull requests•Updated Aug 21, 2024Aug 21, 2024

• crepes

  Public
  Conformal classifiers, regressors and predictive systems

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •4646 forks•00 stars•00 issues•00 pull requests•Updated Jan 9, 2024Jan 9, 2024