AutoDock for GPUs and other accelerators
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Dec 31, 2024 - C++
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autodock4
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A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.
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Updated
Aug 16, 2022 - Python
This script automates the molecular docking process using AutoDock. It performs a series of steps to prepare and dock ligands against a protein receptor, handling multiple ligands in the current directory.
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Dec 10, 2024 - Python
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