// [CURRENTLY UNAVAILABLE] DiffDock protein-ligand docking. This tool is not deployed on the current MCP server. Use molclaw-quickvina-docking or molclaw-karmadock-tool as alternatives.
Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the input molecules.
Predict binding affinity between target protein sequence and small molecule SMILES using Boltz-2.
Predict protein structures with Chai-1 from sequence or FASTA input and return model scoring summaries.
Chroma toolkit skill covering chroma_monomer for single-chain generation, chroma_complex for multi-chain assembly generation, and chroma_symmetry for symmetry-constrained protein design.
Retrieve SMILES strings from PubChem database using compound names.
Generate new molecules de novo.
| name | molclaw-diffdock-auto |
| description | [CURRENTLY UNAVAILABLE] DiffDock protein-ligand docking. This tool is not deployed on the current MCP server. Use molclaw-quickvina-docking or molclaw-karmadock-tool as alternatives. |
| license | MIT license |
| metadata | {"skill-author":"PJLab"} |
Note:
molclaw-file-transfer before execution.molclaw-pdbfixer before execution.molclaw-scp-server to complete tool invocation.⚠ TOOL NOT AVAILABLE: The
diffdock_autotool is not currently deployed on the MCP server. The DiffDock API endpoint is disabled. Do NOT attempt to calldiffdock_auto. Use one of these alternatives instead:
molecule_docking_quickvina_fullprocess— GPU-accelerated AutoDock Vina variant (see skillmolclaw-quickvina-docking)karmadock_tool— ML-based docking (see skillmolclaw-karmadock-tool)