MISATO-dataset

community

AI & ML interests

Structure based drug discovery

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βš›οΈ Vision:

We are a drug discovery community project πŸš€

  • highest possible accuracy for ligand molecules
  • represent the systems dynamics in reasonable timescales
  • innovative AI models for drug discovery predictions
  • lets build useful and fun spaces for everyone

Lets crack the 100+ ns MD, 30000+ protein-ligand structures and a whole new world of AI spaces for drug discovery together.

Check out the paper!

πŸ’œ Community

Want to get hands-on for drug discovery using AI? Join our discord server!

You can freely download the MISATO-dataset from Zenodo:

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