ChnQ / LLM4Mol

Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"

Can Large Language Models Empower Molecular Properties Prediction?

Requirements

The following pakages are required to run the code:

• python==3.8.0

• pytorch==1.12.1

• cudatoolkit==11.3

• networkx==2.5

• rdkit==2023.3.1

• deepchem== 2.7.1

Training and evaluation

You can directly run the program after modifying the basic hyperparameters in the script example.sh :

sh example.sh

Some code resources that we benefit from https://github.com/cedricvincentcuaz/TFGW, https://github.com/XiaoxinHe/TAPE