MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph

1 code implementation • 5 Jun 2021 • Mengying Sun, Jing Xing, Huijun Wang, Bin Chen, Jiayu Zhou

Second, the contrastive scheme only learns representations that are invariant to local perturbations and thus does not consider the global structure of the dataset, which may also be useful for downstream tasks.

Contrastive Learning Representation Learning