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RDKit

RDKit

Open-source cheminformatics and machine learning toolkit.

About RDKit

Cheminformatics and Machine Learning Software.

✅ Pros

  • + Extensive cheminformatics functionality
  • + Supports machine learning integration
  • + Open-source and community-driven

⚠️ Cons

  • - Steep learning curve for beginners
  • - Limited official GUI tools

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Quick Info

Pricing
Free
Platforms
linux, windows, mac, self-hosted

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