The ColabFit Exchange: Data for Advanced Materials Science |
Welcome to the ColabFit Exchange! This is the world’s largest hub for the discovery, exploration and submission of datasets for the development of machine learning interatomic potentials (MLIPs) for materials science and chemistry. ColabFit datasets are carefully vetted and cleaned, and made available in a variety of standard formats including LMDB, Parquet and xyz. Content on the ColabFit Exchange is open source and freely available.
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Results: 448
sAlex_validation
ISO17_NC_2017
DeePMD_SE
Download Original Data Files
585.7 MB
Download Dataset Parquet Files
639.4 MB
Download Dataset XYZ Files
711.7 MB
JARVIS_AGRA_CO
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174.8 KB
Download Dataset Parquet Files
294.1 KB
Download Dataset XYZ Files
93.7 KB
JARVIS_AGRA_CHO
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186.6 KB
Download Dataset Parquet Files
310.4 KB
Download Dataset XYZ Files
99.3 KB
JARVIS_AGRA_O
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253.0 KB
Download Dataset Parquet Files
624.7 KB
Download Dataset XYZ Files
158.3 KB
JARVIS_AGRA_COOH
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247.4 KB
Download Dataset Parquet Files
398.5 KB
Download Dataset XYZ Files
131.5 KB