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README.md
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# MISATO - Machine learning dataset of protein-ligand complexes for structure-based drug discovery
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## 🌏 Where we are:
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- Quantum Mechanics: 19443 ligands, curated and refined
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- Molecular Dynamics: 16972 simulated protein-ligand structures, 10 ns each
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- AI: pytorch dataloaders, 2 base line models for MD and QM
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## ⚛️ Vision:
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We are a drug discovery community project 🚀
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- highest possible accuracy for ligand molecules
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## ⚛️ Vision:
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We are a drug discovery community project 🚀
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- highest possible accuracy for ligand molecules
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