Upload MATTER-604 private review candidate

README.md

@@ -26,6 +26,71 @@ fixtures. It intentionally does **not** contain per-task reference answers,
 checklists, Gold thresholds, or the private evaluator. Submit answers and task
 artifacts through the benchmark evaluation service.
 
+## Repository contents
+
+```text
+MATTER-604/
+├── README.md
+├── LICENSE
+├── data/
+│   └── test.jsonl
+├── fixtures/
+├── manifest.json
+├── private_eval_commitment.json
+├── submission.schema.json
+└── .gitattributes
+```
+
+| Path | Description |
+|---|---|
+| `README.md` | Dataset Card: scientific scope, task distribution, runtime requirements, scoring summary, and release boundaries. |
+| `LICENSE` | Apache-2.0 license for MATTER-owned content. It does not license excluded VASP POTCAR files or third-party PDFs. |
+| `data/test.jsonl` | The 604 evaluation tasks, one JSON object per line. Each record contains only `task_id`, `capability`, `domain`, `prompt`, `tags`, and `data_files`. |
+| `fixtures/` | 238 redistributable task inputs declared by 147 tasks, including crystal structures, simulation inputs, spectra, electrochemical data, tabular data, and small model/test files. |
+| `manifest.json` | Machine-readable release identity: task count, task-ID hash, fixture counts, hidden fields, missing-input status, license, and closed-source-runtime exclusion. |
+| `private_eval_commitment.json` | A whole-tree SHA-256 commitment to the canonical 604-task private evaluator. It identifies the scoring version without exposing answers or file-level hashes. |
+| `submission.schema.json` | JSON Schema for third-party submissions: final answer, artifact paths and hashes, optional trace path, and Agent/model/prompt metadata. |
+| `.gitattributes` | Hugging Face repository transport metadata added by the Hub; it is not part of the scientific benchmark content. |
+
+The 147 tasks with declared inputs contain 254 file references to 244 unique
+logical paths. Of these, 238 files are bundled under `fixtures/`; six restricted
+inputs are represented only by their identity, SHA-256, size, restriction reason,
+source, and lawful acquisition instructions.
+
+## Capability distribution
+
+The capability label describes the main research action being evaluated. A task
+can exercise supporting skills in addition to its primary label.
+
+| Capability | Tasks | Share | What is evaluated |
+|---|---:|---:|---|
+| `input_generation` | 164 | 27.2% | Producing scientifically consistent inputs for codes such as VASP, ABACUS, CP2K, LAMMPS, GROMACS, ORCA, DP-GEN, and GPUMD. |
+| `workflow_orchestration` | 138 | 22.8% | Organizing multi-step modelling or calculation workflows, remote jobs, state transitions, recovery, and result collection. |
+| `scientific_analysis` | 95 | 15.7% | Extracting and interpreting materials properties from structures, energies, spectra, trajectories, electrochemical data, and other scientific outputs. |
+| `structure_construction` | 84 | 13.9% | Building chemically and crystallographically meaningful bulk, molecular, surface, interface, defect, and other atomistic models. |
+| `structure_retrieval` | 49 | 8.1% | Finding, selecting, converting, and validating material or molecular structures from databases and supplied sources. |
+| `execution_contract` | 46 | 7.6% | Respecting requested methods and constraints, checking feasibility, handling infrastructure limitations, and avoiding silent substitutions or unsupported claims. |
+| `data_diagnosis` | 18 | 3.0% | Identifying malformed inputs, inconsistent metadata, convergence failures, corrupted outputs, and scientifically invalid intermediate states. |
+| `safety_refusal` | 6 | 1.0% | Refusing unsafe, unauthorized, deceptive, or scientifically unjustified operations while explaining the boundary. |
+| `batch_processing` | 4 | 0.7% | Managing related task sets, controlled parameter sweeps, consistent batch inputs, and batch-level failure recovery. |
+| **Total** | **604** | **100%** | |
+
+## Domain distribution
+
+The domain label identifies the main materials context. `agnostic` covers
+cross-domain scientific-software and research-operation tasks rather than a
+separate material class.
+
+| Domain | Tasks | Share | Scope |
+|---|---:|---:|---|
+| `agnostic` | 467 | 77.3% | General atomistic modelling, electronic-structure, molecular simulation, data analysis, scientific software, and platform operations. |
+| `battery` | 59 | 9.8% | Electrodes, electrolytes, ion transport, cycling data, interphases, and battery-oriented simulations. |
+| `semiconductor` | 27 | 4.5% | Electronic structure, dielectric response, defects, band properties, and semiconductor materials. |
+| `catalysis` | 19 | 3.1% | Surfaces, adsorption, reaction energetics, electrocatalysis, and catalytic screening. |
+| `polymer` | 19 | 3.1% | Polymer and molecular materials, force fields, conformations, membranes, and polymer simulations. |
+| `alloy` | 13 | 2.2% | Alloy structures, ordering, solid solutions, magnetic states, and alloy-property workflows. |
+| **Total** | **604** | **100%** | |
+
 ## Splits
 
 `data/test.jsonl` contains the 604 evaluation questions. The test labels are