awesome-pretrain-on-molecules

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
https://github.com/junxia97/awesome-pretrain-on-molecules

Last synced: 7 days ago
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Acknowledgements
- Others
Open-Sourced Pretrained Graph Models
- Others
  - SimGRACE - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M |[Link](https://github.com/junxia97/SimGRACE)|
  - MGSSL - layer GIN | ZINC15 (250K) | ~ 2M |[Link](https://github.com/zaixizhang/MGSSL/tree/main/motif_based_pretrain/saved_model)|
  - GraphCL - layer GIN| ZINC15 (2M) + ChEMBL (456K) | ~ 2M|[Link](https://github.com/Shen-Lab/GraphCL/tree/master/transferLearning_MoleculeNet_PPI)|
  - ChemRL-GEM
  - KCL
  - GPT-GNN - GNN)|
  - GCC - layer GIN | Academia + DBLP + IMDB + Facebook + LiveJournal | <1M|[Link](https://github.com/THUDM/GCC#download-pretrained-models)|
  - JOAO - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M |[Link](https://github.com/Shen-Lab/GraphCL_Automated/tree/master/transferLearning_MoleculeNet_PPI)|
  - AD-GCL - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M |N/A|
  - GROVER - ailab/grover)|
  - MPG
  - LP-Info - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M|[Link](https://github.com/Shen-Lab/GraphCL_Automated/tree/master/transferLearning_MoleculeNet_PPI_LP)|
  - MolCLR
  - DMP
  - 3D Infomax - drugs(140K) + QMugs(620K) | N/A |[Link](https://github.com/HannesStark/3DInfomax)|
  - GraphMVP
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - GraphLog - layer GIN | ZINC15 (2M) + ChEMBL (456K)| ~ 2M |[Link](https://github.com/DeepGraphLearning/GraphLoG/tree/main/models)|
  - LP-Info - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M|[Link](https://github.com/Shen-Lab/GraphCL_Automated/tree/master/transferLearning_MoleculeNet_PPI_LP)|
  - DMP
  - 3D Infomax - drugs(140K) + QMugs(620K) | N/A |[Link](https://github.com/HannesStark/3DInfomax)|
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - GCC - layer GIN | Academia + DBLP + IMDB + Facebook + LiveJournal | <1M|[Link](https://github.com/THUDM/GCC#download-pretrained-models)|
  - ChemRL-GEM
  - GPT-GNN - GNN)|
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - ChemRL-GEM
  - JOAO - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M |[Link](https://github.com/Shen-Lab/GraphCL_Automated/tree/master/transferLearning_MoleculeNet_PPI)|
  - MolCLR
  - Hu et al. - layer GIN| ZINC15 (2M) + ChEMBL (456K)| ~ 2M |[Link](https://github.com/snap-stanford/pretrain-gnns/tree/master/chem/model_gin)|
Papers List
- Applications

Programming Languages

Categories

Papers List 814 Open-Sourced Pretrained Graph Models 68 Pre-traing Datasets 6 Acknowledgements 3

Sub Categories

Pretraining Strategies 637 Applications 141 Others 84 Knowledge-Enriched Pretraining Strategies 17 Hard Negative Mining Strategies 6 Tuning Strategies 6

Keywords

deep-learning 2 machine-learning 2 self-supervised-learning 2 graph-mining 1 graph-neural-networks 1 graph-self-supervised-learning 1 pre-training 1 pretraining 1 contrastive-learning 1 graph-representation-learning 1 bert 1 chinese 1 dataset 1 ernie 1 gpt 1 gpt-2 1 large-language-models 1 llm 1 multimodel 1 nezha 1 nlp 1 nlu-nlg 1 pangu 1 pretrained-models 1 roberta 1 simbert 1 xlnet 1