Datasets › MP20
MP20 (Metastable crystal structures from Materials Project)
MP20 (Xie et al., 2022) contains 45,231 metastable crystal structures from the Materials Project (Jain et al., 2013), each with up to 20 atoms and spanning 89 different element types.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Unconditional Crystal Generation | MP20 | ADiT DFT Stable, Unique, Novel Rate 6.0 | All-atom Diffusion Transformers: Unified generative... | facebookresearch/all-atom-diffusion-transformer | 3 | Compare |
Papers archive 2025-07-28
3 shown of 3 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 28. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| All-atom Diffusion Transformers: Unified generative modelling of molecules and materials | 1 | 1 | 5 Mar 2025 | ran 6 of 7 samples (1 unverified; 7 pointer-only for licence) |
| FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions | 1 | 1 | 30 Oct 2024 | ran 1 of 1 samples (0 unverified; 1 pointer-only for licence) |
| FlowMM: Generating Materials with Riemannian Flow Matching | 1 | 1 | 7 Jun 2024 | ran 1 of 1 samples (0 unverified; 1 pointer-only for licence) |
Dataset loaders archive 2025-07-28
No loader listed in the archive.
Tasks archive 2025-07-28
License archive 2025-07-28
MIT
Modalities archive 2025-07-28
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- MP20
1 variant name, as the archive lists them.
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