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Thank you very much for your highly valuable research. May I ask if you could release the relevant dataset of electron densities in the protein-ligand pocket regions calculated by quantum mechanics method(GFN2-xTB, ωB97X-D/def2-QZVP)?
Thank you very much for your highly valuable research. May I ask if you could release the relevant dataset of electron densities in the protein-ligand pocket regions calculated by quantum mechanics method(GFN2-xTB, ωB97X-D/def2-QZVP)?