Molecular Sciences Software Institute
Published March 19, 2026 | Version 03-19-2026
Software Open

BERTology of Molecular Property Prediction (Standardization Effect: Small-BERT, Part 2)

Authors/Creators

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

Description

Standardization Effects on Pre-Training

Small-BERT (Part 2)

This record pertains to Standardization Effects on Pre-Training Experiments.
It includes the following files:
  • small-binidx-3-ms-1234-ds-1234-crpt-00.tar.gz
  • small-binidx-3-ms-1234-ds-2345-crpt-00.tar.gz
  • small-binidx-3-ms-2345-ds-1234-crpt-00.tar.gz
  • small-binidx-3-ms-1234-ds-1234-crpt-05.tar.gz
  • small-binidx-3-ms-1234-ds-2345-crpt-05.tar.gz
  • small-binidx-3-ms-2345-ds-1234-crpt-05.tar.gz
  • small-binidx-3-ms-1234-ds-1234-crpt-10.tar.gz
  • small-binidx-3-ms-1234-ds-2345-crpt-10.tar.gz
  • small-binidx-3-ms-2345-ds-1234-crpt-10.tar.gz
Each tar file contains all model artifacts (checkpoints, random-number generator states, optimizer states etc.), training logs (Tensorboard, MLFlow and Weights & Biases), and evaluation results, configuration files, run scripts, SLURM sbatch driver scripts, and any additional artifacts generated during the experiments.
 
Preprint: https://doi.org/10.48550/arXiv.2603.13627

Files

Files (37.9 GB)

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md5:cc20b8d07ad6d1c7070300cfd5ab088e
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md5:ea428cefaf931f7745e03f33753e279a
4.2 GB Download
md5:80f4a960fb5c10197f86b341005f8b0b
4.2 GB Download
md5:99c6181c509f1e763502f359f50b75a0
4.2 GB Download
md5:b5912efde740ef281d22557a5bde9c9b
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md5:1e127c1a55ec842cfe414c5038ef7ee1
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md5:ee19442124ed21e3ccdc961de2da3d99
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md5:030ead06282452d3f3b56da9f21c0081
4.2 GB Download
md5:24f2dec1c7f546776b6f0ba4e9d7e439
4.2 GB Download

Additional details

Software

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