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ecosystem-autodock
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Interface for AutoDock, molecule parameterization
status-active role-library lang-python interface-cli domain-cheminformatics method-chemoinformatics entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda scope-focused domain-drug-discovery task-docking entity-complex method-rule-based task-ligand-prep ecosystem-autodock task-parameterization ecosystem-rdkit
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Updated
Jul 10, 2026 - Python
Python3 translation of AutoDockTools
role-library lang-python status-archived interface-cli entity-protein entity-small-molecule interface-api scope-focused domain-drug-discovery task-docking entity-complex method-rule-based task-ligand-prep ecosystem-autodock
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Updated
May 31, 2024 - Python
AutoDock for GPUs and other accelerators
status-active lang-cpp interface-cli role-application domain-structural-biology entity-protein entity-small-molecule status-published status-packaged-conda scope-focused domain-drug-discovery task-docking method-physics entity-complex ecosystem-autodock interface-gpu lang-cuda
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Updated
Jul 17, 2026 - C++
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