菜单
[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.
用 Codex 或 Claude 帮你安装 复制这段 Prompt，粘贴到 Codex、Claude 或其他助手里，让它检查 Skill 页面并帮你完成安装。
基于 SOC 职业分类
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)