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1. AqSolPred-web AqSolPred-web Public

   Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).

   Python 10 5

2. ChemPlot ChemPlot Public

   A python package for chemical space visualization.

   Jupyter Notebook 126 31

3. AqSolDB AqSolDB Public

   AqSolDB: A curated aqueous solubility dataset contains 9.982 unique compounds.

   Python 16 2

4. Conformer-Search Conformer-Search Public

   A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.

   Python 9 7

5. Genetic-Selection-Cheminformatics Genetic-Selection-Cheminformatics Public

   Genetic algorithm implementation for the selection of features generated from SMILES (cheminformatics applications)

   Python 5 1

6. V2DB V2DB Public

   V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.

   Python 16 8