| license: mit | |
| pretty_name: Scientific Post-Training DReaMS Evaluation v1 | |
| tags: | |
| - mass-spectrometry | |
| - molecule-retrieval | |
| - post-training | |
| - evaluation | |
| # Scientific Post-Training DReaMS Evaluation v1 | |
| This repository contains the immutable public evaluation bundle used by the | |
| `dreams-retrieval` Harbor task in ScientificPostTrainBench. It is evaluation | |
| data, not agent training data. | |
| ## Files | |
| - `public_spectra.hdf5`: three positive-mode `[M+H]+` MS/MS queries for each of | |
| 128 target molecules. | |
| - `public_candidates.jsonl.gz`: 256 same-formula candidates and target position | |
| for each molecule. | |
| - `manifest.json`: upstream revision, source hashes, deterministic selection, | |
| and release-file hashes. | |
| The bundle is deterministically derived from the MassSpecGym 1.5 test fold at | |
| commit `c9aa3feb5f6ec0adee56cc78d2dce24826356156`. The source files and this | |
| derived bundle are MIT-licensed. The builder is retained in | |
| `ScientificPostTrainBench/authoring/dreams`. | |
| Agents may query the bundle only through the task's `/app/evaluate.py` and read | |
| aggregate metrics. Opening rows, extracting candidate targets, or fitting to | |
| this bundle invalidates the benchmark trajectory. | |