Triaging hypothetical crystals for stability

Classify 215,488 hypothetical crystals as stable or not against a fixed DFT convex hull, scored by F1.

shoal Update scienceslack.json from shoal-catalog d1cbb60b3b19 8dfb8b1 · 2周前历史

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1	{
2	"domain": "chemistry-materials",
3	"topics": [
4	"materials-science",
5	"computational-chemistry"
6	],
7	"type": "algorithm",
8	"benchmark": {
9	"task": "Crystal stability prediction on the WBM test set",
10	"metric": {
11	"name": "F1 (stable class, unique prototypes)",
12	"better": "higher"
13	},
14	"baseline": {
15	"name": "Matbench Discovery leader (EquiformerV3+DeNS-OAM)",
16	"score": 0.931
17	}
18	},
19	"source": {
20	"key": "matbench-discovery",
21	"name": "Matbench Discovery",
22	"url": "https://matbench-discovery.materialsproject.org/benchmarks/discovery",
23	"id": "discovery",
24	"curator": "Janosh Riebesell et al.",
25	"poser": "Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner and co-workers",
26	"status": "open leaderboard, accepting model submissions",
27	"as_of": "2026-10-20",
28	"catalog": "0521c19bbd38"
29	},
30	"review": true,
31	"approval": "first-time"
32	}