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This repository includes awesome open source frameworks, libraries or toolkits for AI-aided drug discovery

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Awesome AIDD open sources

This repository includes awesome open source frameworks, libraries or toolkits for AI-aided drug discovery

Cheminformatics

  • AIMSim: Python library for molecular dataset's diversity or similiary analysis and visualization
  • Mordred: Python library for molecular descriptor calculation
  • ChEMBL Structure Pipeline: ChEMBL protocols used to standardise and salt strip molecules with RDKit
  • ChemPlot: A python library for chemical space visualization

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This repository includes awesome open source frameworks, libraries or toolkits for AI-aided drug discovery

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