Published January 7, 2026
| Version v2
Dataset
Open
AI-guided competitive docking for virtual screening and compound efficacy prediction
Description
Author : Manon Mirgaux, Valeria Barcelli, Adeline C.Y. Chua, Pablo Bifani, René Wintjens
This dataset includes the complex models produced by diffusion-based tools (AlphaFold3, Boltz-1, and Boltz-2), together with all analysis scripts, intermediate data, and results used across the protein benchmark set.
The data is licensed under the respective terms-of-use and data usage agreements (when applicable). Please consult the terms before downloading or otherwise using the data.
Files
Files
(2.0 GB)
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md5:d284e0f8f282531e25fc8dd7a0d97e65
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1.5 GB | Download |
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md5:9174ad493aff330418a149f51d1bb49c
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9.0 kB | Download |
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md5:5c03c9b7fd28df5d7e384be57687633c
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415.0 MB | Download |