MP-20

About 45,000 Materials Project structures with at most 20 atoms per cell (CDVAE split). In the MEIDNet paper it tests how the crystal encoder and decoder generalise beyond perovskites; no property modality was aligned on it and no MP-20 checkpoint is shipped in this repository. The split files hold 45,229 structures; the size often quoted for MP-20, 45,231, does not match them.

45,229 materials · split: CDVAE: 27,136 train / 9,047 val / 9,046 test · dataset source

No protocol yet

The paper uses this dataset for structure-representation results; no benchmark protocol has been defined for it yet. A protocol is a protocol section in benchmarks/datasets/mp20.json with its tasks, settings and metrics: Perov-5 is the template (how to add a dataset).