Molecular Sciences Software Institute
Published March 30, 2026 | Version 03-30-2026
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BERTology of Molecular Property Prediction (Cross-validated Hyperparameter Search: Small-BERT, Part 8)

Authors/Creators

  • 1. ROR icon Molecular Sciences Software Institute
  • 2. ROR icon Virginia Tech

Description

Cross-validated Hyperparameter Search

Small-BERT (Part 8)

This record pertains to Cross-validated Hyperparameter Search Experiments involving Small-BERT.
It includes the following files:
  • hPPB-fold0-small-binidx-5-ms-1234-ds-1234.tar.gz
  • hPPB-fold1-small-binidx-5-ms-1234-ds-1234.tar.gz
  • hPPB-fold2-small-binidx-5-ms-1234-ds-1234.tar.gz

NOTE:  The hyperparameter search and finetuning scripts are based on Biogen's codebases. As a result, the program design and many software development choices were not based on our own preferences or recommended best practices.

 

Preprint: https://doi.org/10.48550/arXiv.2603.13627

Files

Files (43.0 GB)

Name Size Download all
md5:6f992c187f7801bb392e7a6815a0d61b
14.4 GB Download
md5:7e6d90c3d2c1fd2f44c8b14cffb624cb
14.1 GB Download
md5:90d6fa3e03bf318357349a4492712302
14.5 GB Download

Additional details

Software

Repository URL
https://github.com/molssi-ai/bertology
Programming language
Python
Development Status
Active