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Browse files
README.md
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@@ -46,8 +46,8 @@ METHODS.md §3 and §7, and in the `prior_reports` column of `dft_results.csv`.
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| | count |
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| Structures generated |
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| 50 |
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| Kept as "discoveries" (stable by ML, and the composition is not reported in any database or paper we check) |
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| ML hull check finished | 540 |
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| ML hull check at or below 0 eV/atom | 0 |
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| DFT jobs (passes / fails / still running or queued) | 9 (2 / 2 / 5) |
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@@ -63,14 +63,14 @@ New rows need a few nights of hull checks before their numbers mean much.
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| random formula (before 11-01) | 0 | 3713 | 696 | 459 | 0.399 | 0 | 0 |
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| surprise (before 11-01) | 0 | 1681 | 101 | 53 | 0.141 | 6 | 2 |
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| substitution |
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| random | 60 | 64 | 15 | 1 | 0.762 | 0 | 0 |
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| 68 |
| surprise | 117 | 59 | 5 | 0 | - | 0 | 0 |
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| control | 0 | 22 | 0 | 0 | - | 0 | 0 |
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| human | 0 | 10 | 0 | 0 | - | 0 | 0 |
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| 71 |
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ML verdicts: unstable
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| 73 |
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Novelty at generation time: skipped
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### Files
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- `structures.jsonl.gz`: one JSON object per structure: formula, space group, CIF, how the prompt was chosen
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| 46 |
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| | count |
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|---|---|
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| Structures generated | 5751 |
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| 50 |
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| Kept as "discoveries" (stable by ML, and the composition is not reported in any database or paper we check) | 867 |
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| 51 |
| ML hull check finished | 540 |
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| 52 |
| ML hull check at or below 0 eV/atom | 0 |
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| 53 |
| DFT jobs (passes / fails / still running or queued) | 9 (2 / 2 / 5) |
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| 63 |
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| random formula (before 11-01) | 0 | 3713 | 696 | 459 | 0.399 | 0 | 0 |
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| 65 |
| surprise (before 11-01) | 0 | 1681 | 101 | 53 | 0.141 | 6 | 2 |
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| 66 |
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| substitution | 152 | 202 | 50 | 27 | 0.216 | 0 | 0 |
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| 67 |
| random | 60 | 64 | 15 | 1 | 0.762 | 0 | 0 |
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| 68 |
| surprise | 117 | 59 | 5 | 0 | - | 0 | 0 |
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| 69 |
| control | 0 | 22 | 0 | 0 | - | 0 | 0 |
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| human | 0 | 10 | 0 | 0 | - | 0 | 0 |
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| 71 |
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ML verdicts: unstable 2085, rock solid 1430, plausible 1293, borderline 767, falls apart 176.
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Novelty at generation time: skipped 3028, known 976, known composition 875, new composition 867, rediscovered 5.
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### Files
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- `structures.jsonl.gz`: one JSON object per structure: formula, space group, CIF, how the prompt was chosen
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