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Published December 7, 2022 | Version v1
Dataset Open

Open MatSci ML Toolkit - DGL Graphs for OpenCatalyst IS2RE Task (OC20)

  • 1. Intel Labs
  • 2. Intel AXG

Description

Dataset accompanying the release of the Open MatSciML Toolkit, an open source software for development graph neural networks on the OpenCatalyst project using the Deep Graph Library (DGL). 

For more details about the Open MatSci ML Toolkit, check the associated open-source repository and paper.

Compressed files ~11GB with uncompressed file being ~133 GB.

Files

dgl_is2re_oc20.zip

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md5:e40104f89bef406af90dbbc6355643c2
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Additional details

Related works

References

  • Chanussot*, L., Das*, A., Goyal*, S., Lavril*, T., Shuaibi*, M., Riviere, M., Tran, K., Heras-Domingo, J., Ho, C., Hu, W., Palizhati, A., Sriram, A., Wood, B., Yoon, J., Parikh, D., Zitnick, C. L., and Ulissi, Z. Open catalyst 2020 (oc20) dataset and community challenges. ACS Catalysis, 2021. doi: 10.1021/acscatal.0c04525.