2 datasets found

Formats: JSON Tags: protein pockets

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  • Uni-Mol

    The Uni-Mol dataset contains 208M conformations for 12M molecules and 3.2M spatial structures of protein pockets.

  • CrossDocked2020

    Structure-based drug design (SBDD), which can be formulated as generating 3D molecules conditioned on protein pockets, is an important and challenging task in drug discovery.
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