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Jie Zhang

Advanced
@jeah-z

IFP-RNN. A molecule generative model used interaction fingerprint (docking pose) as constraints.

15

Drug-Solubility-Prediction-Mordred. Python

8

Generative_Models_benchmark_gdb13. Python

6

Aqueous-solubility-prediction-with-GCN. Python

3

NMR-GCN. A code to predict atomic NMR chemical shift based GCN and QM calculation

2

BDE-FGCN. Python

1