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.
Variants: MP20
This dataset is used in 1 benchmark:
| Task | Model | Paper | Date |
|---|---|---|---|
| Unconditional Crystal Generation | ADiT | All-atom Diffusion Transformers: Unified generative … | 2025-03-05 |
| Unconditional Crystal Generation | FlowLLM | FlowLLM: Flow Matching for Material … | 2024-10-30 |
| Unconditional Crystal Generation | FlowMM | FlowMM: Generating Materials with Riemannian … | 2024-06-07 |
Recent papers with results on this dataset: