AB molecular-docking
End-to-end molecular docking pipeline. Target preparation, pocket detection, protein-ligand docking (DiffDock/Vina), scoring, interaction analysis, and pose ranking.
End-to-end molecular docking pipeline.
As a process B 66/100 · Nearly there — weak spots: inputs and preconditions, running it twice, progress reporting
How to improve
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: 7. Evidence is masked. Grey chips explain why severity was lowered.
Against the Agent Skills spec
✓ No remarks against the Agent Skills spec
Process rating: all ten parameters 66/100
- 0Inputs and preconditions. Does not say what the process needs to start
- 0Progress reporting. Says nothing while it works
- 30Running it twice. 4 mutating operations with no state check
- 50Failures and branches. 0 branches, has a failure section
- 60Tools and files. Uses tools (bash, python) that frontmatter does not declare
- 60Result and completion. Output format stated, no completion criterion
- 100Steps. 33 steps
- 100When it triggers. States when to use and when not to
- 100Consistency. Name and required fields are in place
- 100Execution cost. Instruction body is 2298 tokens
- low The skill ranks results itself: that belongs to the system behind the tool, not the model
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
- +2Single-language instructions
- +4Description says when NOT to use the skill
- +3Description length 165: enough signal without eating the budget
- +4Structure: 19 headings
- +3Step-by-step instructions: 33 items
- +3Output format is stated explicitly
- +4Has examples (6 code blocks)
- +4Reference files are cited in the instructions (1 of 1)
- +3All 5 scripts are documented
- +1License stated
Quality base 70; lint remarks subtract, signals add up to 100. Result: 99.