graph-neural-networks 2 chemistry 2 molecular-property-prediction 2 drug-discovery 2 graph-structure-learning 1 meta-learning 1 molecular-property 1 one-shot-learning 1 cheminformatics 1 machine-learning 1 molecular-representation 1 python3 1 gaussian-processes 1 molecules 1 density-functional-theory 1 equivariant-graph-neural-network 1 equivariant-representations 1 higher-order 1 hypergraph-neural-networks 1 molecular-modeling 1 qm9-dataset 1 quantum-chemistry 1 graph-contrastive-learning 1 graph-self-supervised-learning 1 pretraining 1 deep-learning 1 functional-groups 1 graph-neural-netowrks 1 awesome 1 chemical-language-models 1 computational-chemistry 1 drug-discovery-and-development 1 finetuning 1 gnns 1 graph-representation-learning 1 molecule 1 self-supervised-learning 1 survey 1 transfer-learning 1 out-of-distribution 1 few-shot-learning 1