Published March 17, 2026 | Version 03-17-2026
Software Open

BERTology of Molecular Property Prediction (Data Size Effect: Small-BERT, Part 1)

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

Description

Data Size Effects on Pre-Training 

Small-BERT (Part 1)

This record pertains to Data Size Effects on Pre-Training Experiments.
It includes the following files:
  • small-binidx-0-ms-1234-ds-1234.tar.gz
  • small-binidx-0-ms-1234-ds-2345.tar.gz
  • small-binidx-0-ms-2345-ds-1234.tar.gz
  • small-binidx-1-ms-1234-ds-1234.tar.gz
  • small-binidx-1-ms-1234-ds-2345.tar.gz
  • small-binidx-1-ms-2345-ds-1234.tar.gz
  • small-binidx-2-ms-1234-ds-1234.tar.gz
  • small-binidx-2-ms-1234-ds-2345.tar.gz
  • small-binidx-2-ms-2345-ds-1234.tar.gz
  • small-binidx-3-ms-1234-ds-1234.tar.gz
  • small-binidx-3-ms-1234-ds-2345.tar.gz
  • small-binidx-3-ms-2345-ds-1234.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 (42.9 GB)

Name Size Download all
md5:c95fab3403deb11daddd48ba9930c235
3.4 GB Download
md5:4c8ced7e330003071be5868fb4bf8a17
3.4 GB Download
md5:b39d17249c433e58a4fdfd66021d6e91
3.4 GB Download
md5:0230de89caa4e4d529b963c4c9488c3a
5.0 GB Download
md5:3f82deb436ecc391269a39f8e551b8d4
3.4 GB Download
md5:a113c86adf25cf9ed665d01d688c7c3b
3.4 GB Download
md5:c2375fd228b9168a1bc5b58d05dc55f6
3.4 GB Download
md5:b11ca9e360b301304e725b2441c43898
3.4 GB Download
md5:50b464707f86ec36596a5d18fefac46e
3.4 GB Download
md5:ff370c12e59cf7356219cf064a297736
3.6 GB Download
md5:287cd29b77c0c1d7ec031e90b4d38a04
3.6 GB Download
md5:6f98e6f957e67ff8f2a93ebee43402c8
3.6 GB Download

Additional details

Software

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