molecular-representation-learning topic

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

junxia97

[WWW 2022] "SimGRACE: A Simple Framework for Graph Contrastive Learning without Data Augmentation"

junxia97

Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".

tata1661

Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)

HICAI-ZJU