| # Roadmap |
|
|
| ## Current Status (v0.0.0) |
|
|
| - ✅ Dataset frozen (266,732 entries, 3 sources) |
| - ✅ All known defects repaired (coordinates, volume, density, space groups) |
| - ✅ Provenance tracking per entry |
| - ✅ Strict Gold tier (11 gates) |
| - ✅ Quality score calibration (monotonic proof) |
| - ✅ Cross-source agreement quantified |
| - ✅ Dataset census complete |
| - ✅ Per-source and per-family reports |
| - ✅ Benchmark splits frozen |
| - ✅ Evaluation runner with baselines |
| - ✅ Documentation suite |
|
|
| ## Short Term (v0.0.0 final) |
|
|
| | Task | Priority | Status | |
| |------|----------|--------| |
| | OQMD scoring review (G10 gap) | High | Planned | |
| | Garnet data enrichment | High | Planned | |
| | OQMD coordinate re-repair for non-artifact entries | Medium | Planned | |
| | GitHub release with DOI | High | Planned | |
| | Benchmark baselines (ScandiumNet, CHGNet, MEGNet) | High | Planned | |
|
|
| ## Medium Term (v4.0) |
|
|
| | Feature | Description | |
| |---------|-------------| |
| | Battery-specific properties | Ionic conductivity, migration barriers | |
| | Experimental validation subset | Compare DFT with experimental measurements | |
| | Expanded garnet dataset | Additional garnet-type electrolytes | |
| | API | Programmatic dataset access | |
| | Data hosting | HF Datasets / Zenodo for easier access | |
|
|
| ## Long Term |
|
|
| | Goal | Target | |
| |------|--------| |
| | 500k+ validated entries | v5.0 | |
| | 5+ sources (add AFLOW, NOMAD, others) | v5.0 | |
| | Multi-fidelity (DFT + DFT+U + hybrid) | v6.0 | |
| | Active learning integration | v6.0 | |
|
|
