AC molecular-docking-autodock
实现分子对接全流程自动化，支持输入蛋白结构文件（PDB格式）、小分子SMILES表达式、口袋位置描述（文本描述或坐标范围），输出对接后打分最高的复合物结构及对接打分结果，默认使用AutoDock VINA算法。使用场景：用户需要进行蛋白-小分子对接预测结合模式、筛选小分子配体、获取对接复合物结构时触发。
As a process C 53/100 · Has gaps — weak spots: result and completion, when it triggers, inputs and preconditions
How to improve
- Say in the description WHEN to use the skill ("use when…", example requests): that is the agent's main cue.
For the model run — optional
- Your own cases (evals/evals.json, 4–6 real requests with expected answers): the full check would then run those instead of a model-drafted suite.
- A spec.yaml with trigger phrases and assertions — a behaviour contract for CI; `skilltest init` writes a template.
Guard findings · 0
✓ No critical or high findings
Files scanned: 5. Evidence is masked. Grey chips explain why severity was lowered.
Against the Agent Skills spec
- warning
description-no-whendescription does not say WHEN to use the skill (no "use when")
Process rating: all ten parameters 53/100
- 0Result and completion. Does not say what the result is
- 0Inputs and preconditions. Does not say what the process needs to start
- 0Failures and branches. Linear process with no failure handling
- 0Progress reporting. Says nothing while it works
- 20When it triggers. No condition that starts the skill
- 100Tools and files. No external tools needed
- 100Steps. 24 steps
- 100Consistency. Name and required fields are in place
- 100Execution cost. Instruction body is 418 tokens
- 100Running it twice. No mutating operations
Everything here is measured from the skill text rather than judged by a model, so the numbers are checkable. A parameter weighs more when it is a more common reason for the process to stall.
Quality signals
- +5Description has no quoted example phrases that should trigger the skill
- +4Description does not say when NOT to use the skill (false activations)
- +3Output format is not stated: the model decides each time
- +1No license
- +2Single-language instructions
- +3Description length 152: enough signal without eating the budget
- +4Structure: 12 headings
- +3Step-by-step instructions: 24 items
- +4Has examples (3 code blocks)
- +4Reference files are cited in the instructions (2 of 2)
- +3All 1 scripts are documented
Quality base 70; lint remarks subtract, signals add up to 100. Result: 79.
External checks
ClawHub: suspicious
This skill has a legitimate molecular-docking purpose, but its script can run unintended local shell commands if given crafted file or output paths.
LLM: suspicious (high) · VirusTotal: · 29 May 2026