quantitative-validator
Skill10 starsChanged 6 days agoMITView on GitHub
Atom-conservation gate for molecular formulae and chemical equations. Parses Hill notation, balances both sides and cross-checks with rdkit; runs inside the process sandbox and degrades to `UNVERIFIED` when rdkit is absent.
In this repository22 other files it gives its agents.
- AGENTS.mdAGENTS.md
- .github/copilot-instructions.mdCopilot instructions
- .cursor/rules/chelate-shell.mdcCursor rule
- 3d-modelerSkill
- ai-trace-removerSkill
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- capstone-labmateSkill
- conflict-detectorSkill
- data-profilerSkill
- document-evolution-trackerSkill
- formula-validatorSkill
- fulltext-extractorSkill
- latex-exporterSkill
- literature-retrieverSkill
- longitudinal-analysisSkill
- ml-auditorSkill
- multi-dim-managerSkill
- reference-auditorSkill
- sci-visualizerSkill
- security-guardSkill
- task-organizerSkill
- video-trackerSkill
The file
We split this skill into the rules it gives an agent
1 rule. About 0 are common, 1 is distinctive, and 0 are very specific to this project.
≈0
Common · estimate
Many files like this have a rule of this kind.
≈1
Distinctive · estimate
This author's own choices. Worth a look.
0
Very specific
Tied to their project's names, files or tools. Probably skip.
- Common
- Distinctive
- Very specific
- Distinctive: line 26
Run this exact form — do not read the source tree:
≈ “Common” is an estimate: at least 1 in 5 of the 350,495 skill files we read have a rule of the same kind, not the same words. “Very specific” is our guess from the words: it names a file, a command, a setting or the project itself.
Files
quantitative-validator
Verifies that every element is conserved across a formula or a reaction. It does not predict products, energies or mechanisms.
- Stage:
gates· Sandbox: yes · Dependencies:rdkit
Quick Execution
Run this exact form — do not read the source tree:
python scripts/run.py --root <WS> --action gate --formula "H2 + O2 -> H2O"--input <file>reads the equation from a file instead of--formula.- The gate lands in
<WS>/process/gates/quantitative-validator_<ts>.json.
When to use
- A chemical equation must be checked for balance.
- A molecular formula must be validated before a calculation.
When NOT to use
- Reaction feasibility, yield or mechanism — out of scope.
- Organic nomenclature parsing beyond Hill notation.
Actions
--action | Does | Extra arguments |
gate | Balance / conservation check | --formula "..." | --input <file> |
Hard constraints
- Never balance the equation by hand. The verdict comes from the tool.
- An unbalanced equation is a FAIL, not a hint.
Outputs
<WS>/process/gates/quantitative-validator_<ts>.json— the gate result with the per-element diff.
Failure handling
- An unparseable formula fails the gate with the offending token.
rdkitmissing →UNVERIFIED(the sandbox reports it, the pipeline continues).
Limitations
- Hill notation only for formulae.
- Charges and isotopes are checked only where rdkit can represent them.
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