README.md

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title: README
emoji: 🚀
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colorTo: yellow
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⚛️ Vision:

We are a drug discovery community project 🚀

• 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!

💜 Community

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

You can freely download the MISATO-dataset from Zenodo: