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MISATO-dataset
community
AI & ML interests
Structure based drug discovery
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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.
💜 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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