Published January 14, 2022 | Version 1.0
Dataset Open

Density of States Prediction for Materials Discovery via Contrastive Learning from Probabilistic Embeddings

Creators

  • 1. ROR icon California Institute of Technology
  • 2. ROR icon Cornell University
  • 3. ROR icon Lawrence Berkeley National Laboratory

Description

Data related to the publication are provided as a single .zip that contains ascii, .csv, and .json files as well as .pkl, .npy, and .chkpt files referenced in the code repository available at TBD

Other

Related Publication:

Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings

Nature Communications

2022-02-17

https://doi.org/10.1038/s41467-022-28543-x

eng

Files

Mat2Spec_DATA.zip

Files (241.6 MB)

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md5:11cc35a21f7d10f5f9862f7f6787b411
241.6 MB Preview Download

Additional details

Identifiers

CALTECHDATA_ID
8975

Related works

Is supplement to
10.1038/s41467-022-28543-x (DOI)

Funding

U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences
:unav DE-SC0020383
Toyota Research Institute