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: 15 days ago
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Acknowledgements
Others
Open-Sourced Pretrained Graph Models
Others
- SimGRACE - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M |Link|
- MGSSL - layer GIN | ZINC15 (250K) | ~ 2M |Link|
- GraphCL - layer GIN| ZINC15 (2M) + ChEMBL (456K) | ~ 2M|Link|
- ChemRL-GEM
- KCL
- GPT-GNN - GNN)|
- GCC - layer GIN | Academia + DBLP + IMDB + Facebook + LiveJournal | <1M|Link|
- JOAO - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M |Link|
- 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|
- MolCLR
- DMP
- 3D Infomax - drugs(140K) + QMugs(620K) | N/A |Link|
- 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|
- LP-Info - layer GIN | ZINC15 (2M) + ChEMBL (456K) | ~ 2M|Link|
- DMP
- 3D Infomax - drugs(140K) + QMugs(620K) | N/A |Link|
- ChemRL-GEM
- ChemRL-GEM
- ChemRL-GEM
- GCC - layer GIN | Academia + DBLP + IMDB + Facebook + LiveJournal | <1M|Link|
- 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|
- MolCLR
- Hu et al. - layer GIN| ZINC15 (2M) + ChEMBL (456K)| ~ 2M |Link|
Papers List
Applications
- The Journal of Chemical Physics
- SIGIR 2022
- Arxiv 22
- Nature Communications 2021
- NPL 2022
- arXiv 2022
- arXiv 2022
- arXiv 2022
- WWW 2021
- BIBM 2021
- ICBD 2021
- arXiv 2021
- arXiv 2021
- NeurIPS 2021 Workshop
- ICCSNT 2021
- arXiv 2021
- arXiv 2021
- arXiv 2021
- KBS 2021
- arXiv 2021
- arXiv 2021
- IJCAI 2021
- arXiv 2021
- arXiv 2021
- arXiv 2021
- arXiv 2021
- arXiv 2021
- Arxiv 2021 - Yu/RecQ)
- ICLR 2021 - kim/SuperGAT)
- WSDM 2021 - Recsys)
- ICML 2020
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- WWW 2021
- arXiv 2021
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- NPL 2022
- The Journal of Chemical Physics
- Nature Communications 2021
- NPL 2022
- arXiv 2022
- arXiv 2022
- arXiv 2022
- arXiv 2021
- arXiv 2021
- CIKM 2021
- arXiv 2021
- arXiv 2021
- arXiv 2021
- arXiv 2021
- KDD 2021
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- NPL 2022
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021
- Nature Communications 2021