Molecular Sciences Software Institute
Published March 31, 2026 | Version 03-31-2026
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BERTology of Molecular Property Prediction (Cross-validated Hyperparameter Search: Small-BERT, Part 12)

Authors/Creators

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

Description

Cross-validated Hyperparameter Search

Small-BERT (Part 12)

This record pertains to Cross-validated Hyperparameter Search Experiments involving Small-BERT.
It includes the following files:
  • MDR1_ER-fold0-small-binidx-5-ms-1234-ds-1234.tar.gz
  • MDR1_ER-fold1-small-binidx-5-ms-1234-ds-1234.tar.gz
  • MDR1_ER-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 (40.4 GB)

Name Size Download all
md5:0a56221d978c3134baea0e82a5380739
14.0 GB Download
md5:ec14bd6f4a0b172e2fafe2ac5e0d97c4
12.2 GB Download
md5:cc0b4ee72e1cbb62c845b3b7e7e2924d
14.2 GB Download

Additional details

Software

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