Describe the bug
ZairaChem fails when trying to fit a model with an input file of 37637 rows.
It fails because of running out of memory when calculating the Grover Embedding (model eos7w6n).
This happens on a laptop with 16 GB RAM.
To Reproduce
Steps to reproduce the behavior:
Use a computer with 16 GB RAM
Download the attached example file "train.csv"
Create an empty directory "model"
conda activate zairachem
zairachem fit -i train.csv -m model
Expected behavior
ZairaChem is supposed to fit a model and end without errors
Screenshots
Log with error attached
Desktop (please complete the following information):
OS: Ubuntu 20.04.5 LTS (running under Windows WLS)
Using ZairaChem version 0.0.1, installed in December 2022
Additional context
Running on a laptop with 16 GB RAM
Describe the bug ZairaChem fails when trying to fit a model with an input file of 37637 rows. It fails because of running out of memory when calculating the Grover Embedding (model eos7w6n). This happens on a laptop with 16 GB RAM.
To Reproduce Steps to reproduce the behavior:
Expected behavior ZairaChem is supposed to fit a model and end without errors
Screenshots Log with error attached
Desktop (please complete the following information):
Additional context Running on a laptop with 16 GB RAM
Log with error: fit_20221220_0431.log Example input file to reproduce: train.csv