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1. molecular-split-blog molecular-split-blog Public

   Notes on the bias of molecular dataset splitting and a new splitting prototype

   2

2. hcmp-blog hcmp-blog Public

   Notes on a conservative molecular graph pretraining prototype

3. hcmp hcmp Public

   A learning prototype for conservative molecular graph pretraining

   Python

4. data-split-discussion data-split-discussion Public

   Python 3

5. pka-predictor-blog pka-predictor-blog Public

6. benzene-isomer-generator-gaokao benzene-isomer-generator-gaokao Public

   A generator for benzene derivative isomers with functional group constraints using RDKit to solve isomer-related problems in Shanghai Gaokao

   Python 3