Pinned Loading

1. pks-enumerator pks-enumerator Public

   PKS Enumerator is a cheminformatics tool to generate virtual chemical libraries of macrocycles or macrolides. The innovation of our enumeration approach relies on its ability to create extremely la…

   Python 4 4

2. sj23patel/MyPueblo sj23patel/MyPueblo Public

   Jupyter Notebook 3 3

3. GoogleExcelAddOn GoogleExcelAddOn Public

   JavaScript

4. photo-labeling photo-labeling Public

   Python 1 2

5. RecipeGenie RecipeGenie Public

   Jupyter Notebook 1 1

6. ChemX ChemX Public

   Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures of target compound with those found in other synthetic mole…

   Jupyter Notebook 11 6