awesome-pretrain-on-molecules
github.com/junxia97/awesome-pretrain-on-molecules ↗[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
539
GitHub Stars
228
Curated Resources
4
Categories
1 day ago
Last Refreshed
Papers ListOpen-Sourced Pretrained Graph ModelsPre-traing DatasetsAcknowledgements
Use this list with your AI agent
Add the Context Awesome MCP server to Claude, Cursor, or any MCP client, then ask:
"Show me pretraining strategies resources from awesome-pretrain-on-molecules"
Installation instructions →What's inside
Open-Sourced Pretrained Graph Models
- 3D Infomax
PNA
- AD-GCL
5-layer GIN
- ChemRL-GEM
GeoGNN
- CPT-HG
HGT
- DMP
DeeperGCN + Transformer
- GCC
5-layer GIN
Acknowledgements
Showing a sample of 228 resources. View the full list on GitHub →