/awesome-aidd-open-sources

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

Apache License 2.0Apache-2.0

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