masashitsubaki/molecularGNN_smiles
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
PythonApache-2.0
Stargazers
- a-r-jUniversity of Cambridge
- akmstr
- ANakaScience Corporation
- B-C-WANG
- chizhuAlibaba
- DarwinSaire
- dnbaker@langmead-lab
- fly51flyPRIS
- frodofineNYC Metropolitan Area
- guoyan1996
- h-midlothian
- habediPhD candidate at NTNU
- HosseinAbedi
- johndpopeSydney
- kexinhuang12345Bay Area
- liyigerryDali university
- neiblaAuckland, New Zealand
- qiangyao1988Wayne State University
- RahulBhalleyFreelancer
- Ric418CyberAgent
- rouzbeh-afrasiabiNA
- scaomathUMKC
- sha256fengBethlehem, PA, US
- shenzhengdi
- shobrookWayfair
- shunkakinoki@LightDotSo
- sqblNovo Nordisk a/s
- stardjMindRank.ai
- tagucci
- wangsenhonggdei.edu.cn/
- wookay@factorcat
- xiaolinpanNYU, chemistry
- ys1215China Agriculture University
- yvquanliLanzhou University
- ywdeeplearning
- zhoujuncsu