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Publish DReaMS evaluation v1
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metadata
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.