Skip to content

Molecular Property Prediction using Large Language Model

License

Notifications You must be signed in to change notification settings

karthickai/molpred

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

7 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Molecular Property Prediction using DeBerta

Molecular Property Prediction Architecture

Read this Blog post for further explanation: https://karthick.ai/blog/2024/Molecular-Property-Prediction/

To create a DeBERTa tokenizer for Selfies notation. It will create DeBERTa tokenizer in the data directory.

python mol-tokenzier.py

To pretrain the DeBERTa model large corpus of Selfies notations. It will generate results directory with model checkpoint.

python pretrain.py

To fintue Pre trained DeBERTa model with Lipo dataset for Molecular Property prediction.

python fintune.py

About

Molecular Property Prediction using Large Language Model

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages