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CliqueFlowmer Weights

Public checkpoint for Offline Materials Optimization with CliqueFlowmer.

Files

  • CliqueFlowmer-Alexandria+MP20-Eform.pth: formation energy model checkpoint trained with Alexandria data, and fine-tuned on MP20 data (RECOMMENDED)
  • CliqueFlowmer-MP20-Eform.pth: formation energy model checkpoint trained with MP20 data
  • CliqueFlowmer-MP20-BandGap.pth: formation energy model checkpoint trained with MP20 data
  • 'Length_MLE_Offset_True_MP20.pickle': the parameters of the geometry prior derived with maximum-likelihood estimation

Usage

Load with huggingface_hub.hf_hub_download(...) from the Colab notebook or serving app.

Notes

This checkpoint is intended for lightweight public inference:

  • CIF → latent
  • latent → CIF
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Paper for iamkuba/CliqueFlowmer