Code for PACIA: Parameter-Efficient Adapter for Few-Shot Molecular Property Prediction

Environment

We used the following Python packages for core development. We tested on Python 3.7.

- pytorch 1.7.0
- torch-geometric 1.7.0

Datasets

Tox21, SIDER, MUV and ToxCast are previously downloaded from SNAP. You can download the data here, unzip the file and put the resultant ``muv, sider, tox21, and toxcast" in the data folder.

Experiments

To run the experiments, use the command (please check and tune the hyper-parameters in parser.py:

python main.py

quick reproduce results on Tox-21 10-shot:

bash script_train.sh