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I want to use reinvent4 stage learning with AutoDock Vina as score component.
But I cannot find detailed information or example using docking in maize..
I'm confused about the score configuration setting in toml file of reinvent
and the python script setting about vina node including grid box file.
In discussion of MolecularAI/REINVENT4#112, the question about maize is appropriate to ask at here.
So I hope to get any example or information using AutoDock Vina as score component
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Hi.
I want to use reinvent4 stage learning with AutoDock Vina as score component.
But I cannot find detailed information or example using docking in maize..
I'm confused about the score configuration setting in toml file of reinvent
and the python script setting about vina node including grid box file.
In discussion of MolecularAI/REINVENT4#112, the question about maize is appropriate to ask at here.
So I hope to get any example or information using AutoDock Vina as score component
Thank you
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