SKILLEMALL.ai

AC diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

synthetic-sciences/OpenScience Hermes author: synthetic-sciences Apache-2.0 9 files · 3 scripts body ≈ 4 560 tokens Open the sourcegithub.com↗ analyzed 5 d ago

Diffusion-based molecular docking.

As a process C 56/100 · Has gaps — weak spots: result and completion, running it twice, progress reporting

ProcedureGitHubDockerData and analyticsAI and agentstype and topics are labelled automatically from the skill text
Runs in: Hermes Agent
JSON
Technical rating
A
95/100
safety, quality, tests
Safety 60%
100
Quality 40%
87
Run on models
none yet
Process rating
C
56/100
Has gaps
Result and completion w 14
0
Progress reporting w 2
0
Running it twice w 4
30
the three weakest of ten parameters · all ten

How to improve

  1. For Hermes the description must be one sentence under 60 characters; move the conditions to a "When to Use" section.
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: 9. Evidence is masked. Grey chips explain why severity was lowered.

Against the Agent Skills spec

  • warning description-long-hermes description is 188 chars; the Hermes authoring standard requires ≤ 60 (one sentence, ending with a period)
  • note frontmatter-key unknown frontmatter key "dependencies"

Process rating: all ten parameters 56/100

  • 0Result and completion. Does not say what the result is
  • 0Progress reporting. Says nothing while it works
  • 30Running it twice. 5 mutating operations with no state check
  • 50When it triggers. No condition that starts the skill
  • 50Failures and branches. 0 branches, has a failure section
  • 60Tools and files. Uses tools (bash, python) that frontmatter does not declare
  • 70Inputs and preconditions. Inputs and preconditions are listed
  • 70Execution cost. Instruction body is 4560 tokens
  • 85Steps. 135 steps, 2 vague phrases
  • 100Consistency. Name and required fields are in place
  • low 15 top-level sections: this looks like several domains in one skill

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
  • +3Output format is not stated: the model decides each time
  • -2localhost URLs: will not work for another user
  • +2Single-language instructions
  • +4Description says when NOT to use the skill
  • +3Description length 188: enough signal without eating the budget
  • +4Structure: 35 headings
  • +3Step-by-step instructions: 135 items
  • +4Has examples (20 code blocks)
  • +4Reference files are cited in the instructions (3 of 3)
  • +3All 3 scripts are documented
  • +1License stated

Quality base 70; lint remarks subtract, signals add up to 100. Result: 87.