Reference checks
This page lists the reference checks published for Drybench Molecule. Each set gives the methods it covers, what the expected values were computed with, the number of cases, the tolerance the app must meet, the date, and the file holding the inputs and expected outputs, so you can open a case and compare it with what the app gives.
Every case was chosen and recorded by the Drybench team; none has been independently reviewed. A reference check tests the calculation, not your data, your experiment or whether a model suits it. Methods without a set are listed on the methods page with their level.
| Methods | Oracle | Fixtures | Tolerance | Date | File |
|---|---|---|---|---|---|
| molecule.morgan-tanimoto | Python RDKit | 10 | query bits, described structures, excluded identities and ranks exact; Tanimoto within 1e-12; generated display scores separately rounded to six decimals | 2026-10-23 | neighbours-under-policy.jsonRecorded for version 0.3.0; the test suite checks the current engine against it. |
Software the app's numbers were checked against, or its data built with. None of it ships with the app or is a dependency of it.