Crowd-sourcing molecular design of non-peptidic VHL binders

This dataset contains the set of molecules & puzzle setup information for the work "Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders". all-player-designed-compounds.sdf -- All 6608 compounds generated by Foldit players. compounds-passing-preliminary-filtering.sdf -- The 1073 compounds passing the preliminary filtering (see paper for details). vhl_reference_structure.pdb -- The protein reference context for the bound coordinates of player-designed structures. vhl_puzzle_*.zip -- The puzzle setup files for each round. (Corresponding round number for each molecule is annotated in the SDF property data).