This repository is the official implementation of MotiL for micro- and macromolecules, which is proposed in a paper: [Molecular Motif Learning].
After running the provided scripts, you will get the following logs where the fine-tuned results align with those reported in our paper.
Examples:
BBBP MotiL_micromolecule/nohup.out.bbbp
ClinTox MotiL_micromolecule/nohup.out.clintox
BACE MotiL_micromolecule/nohup.out.bace
ESOL MotiL_micromolecule/nohup.out.esol