Code for PACIA: Parameter-Efficient Adapter for Few-Shot Molecular Property Prediction
We used the following Python packages for core development. We tested on Python 3.7.
- pytorch 1.7.0
- torch-geometric 1.7.0
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.
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