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SKILL verified MIT Self-run

Molclaw Diffdock Auto

skill-internscience-molclaw-molclaw-diffdock-auto · by InternScience

[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.

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Install

$ agentstack add skill-internscience-molclaw-molclaw-diffdock-auto

✓ scanned · ✓ verified, works with Claude Code, Cursor, and more.

Security review

✓ Passed

No issues found. Passed automated security review. · v0.1.0 How review works →

  • ✓ Prompt-injection patterns
  • ✓ Secret / credential exfiltration
  • ✓ Dangerous shell & filesystem operations
  • ✓ Untrusted network calls
  • ✓ Known-malicious package signatures

What it can access

  • ✓ Network access No
  • ✓ Filesystem access No
  • ✓ Shell / process execution No
  • ✓ Environment & secrets No
  • ✓ Dynamic code execution No

From automated source analysis of v0.1.0. “Used” means the capability is present in the source — more access means more to trust, not that it’s unsafe.

View the full security report →

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Reliability & compatibility

✓ Security review passed
0 installs to date
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○ 4mo ago

Declared compatibility

Claude CodeClaude Desktop

Compatibility is declared by the source manifest. End-to-end runtime verification is coming, see below.

Preview Execution monitoring

We're building live execution health for every listing: tool-call success rate, median latency, uptime, and last-checked timestamps, measured, not self-reported. It isn't live yet, so we don't show numbers we can't stand behind.

How agent discovery & health will work →
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About

DiffDock Automated Protein-Ligand Docking

Note:

  • Local files are not directly accessible by the server. Please upload them to the server using molclaw-file-transfer before execution.
  • For PDB file inputs, it is recommended to preprocess them using molclaw-pdbfixer before execution.
  • Please refer to skill molclaw-scp-server to complete tool invocation.

> ⚠ TOOL NOT AVAILABLE: The diffdock_auto tool is not currently deployed on the MCP server. The DiffDock API endpoint is disabled. Do NOT attempt to call diffdock_auto. Use one of these alternatives instead: > - molecule_docking_quickvina_fullprocess — GPU-accelerated AutoDock Vina variant (see skill molclaw-quickvina-docking) > - karmadock_tool — ML-based docking (see skill molclaw-karmadock-tool)

Source & license

This open-source skill is cataloged on AgentStack and links to its original source — we do not rehost the code.

Install and usage instructions live in the source repository linked above.

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Versions

  • v0.1.0 Imported from the upstream source.

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