Molecular Sciences Software Institute
Published March 25, 2026 | Version 03-25-2026
Software Open

BERTology of Molecular Property Prediction (Cross-validated Hyperparameter Search: Small-BERT, Part 3)

Authors/Creators

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

Description

Cross-validated Hyperparameter Search

Small-BERT (Part 3)

This record pertains to Cross-validated Hyperparameter Search Experiments involving Small-BERT.
It includes the following files:
  • SOL-fold0-small-binidx-0-ms-1234-ds-1234.tar.gz
  • SOL-fold1-small-binidx-0-ms-1234-ds-1234.tar.gz
  • SOL-fold2-small-binidx-0-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 (44.2 GB)

Name Size Download all
md5:52d4a33f222a406a401460de9da83efa
14.5 GB Download
md5:56899eb56266d5b13f0f13e23aa6ea5b
15.7 GB Download
md5:3fad6a7de940168529d4aa7a156cbc35
14.1 GB Download

Additional details

Software

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