https://github.com/moleculehub/moleculescreen.jl

Implementation of various cheminformatics structural filters in Julia
https://github.com/moleculehub/moleculescreen.jl

cadd cheminformatics chemistry drug-discovery julia julia-language

Last synced: 9 months ago
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Implementation of various cheminformatics structural filters in Julia

• Host: GitHub
• URL: https://github.com/moleculehub/moleculescreen.jl
• Owner: MoleculeHub
• License: mit
• Created: 2023-12-23T05:51:32.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2025-09-28T23:47:29.000Z (9 months ago)
• Last Synced: 2025-09-29T00:18:56.704Z (9 months ago)
• Topics: cadd, cheminformatics, chemistry, drug-discovery, julia, julia-language
• Language: Julia
• Homepage: https://moleculehub.github.io/MoleculeScreen.jl
• Size: 3.21 MB
• Stars: 0
• Watchers: 0
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Funding: .github/FUNDING.yml
  • License: LICENSE

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README

          
# MoleculeScreen.jl

[![Stable](https://img.shields.io/badge/docs-stable-blue.svg)](https://MoleculeHub.github.io/MoleculeScreen.jl)

[![Code Style: Blue](https://img.shields.io/badge/code%20style-blue-4495d1.svg)](https://github.com/JuliaDiff/BlueStyle)

[![Aqua QA](https://raw.githubusercontent.com/JuliaTesting/Aqua.jl/master/badge.svg)](https://github.com/JuliaTesting/Aqua.jl)

A Julia package for molecular filtering and screening (both SMARTS and property-based).