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