vina
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moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
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Mar 12, 2025 - Python
High-throughput molecular docking with multiple targets and ligands using Vina series engines
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Sep 9, 2020 - Python
Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.
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Mar 21, 2025 - Python
Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
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Feb 1, 2019 - Python
An Autodock Vina automation project with basic data analysis tools.
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Apr 11, 2025 - Python
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