Popular repositories Loading

1. CDPKit CDPKit Public

   The Chemical Data Processing Toolkit

   C++ 81 11

2. apo2ph4 apo2ph4 Public

   A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening

   Python 23 4

3. FAME.AL FAME.AL Public

   Active learning for sites of metabolism prediction

   Jupyter Notebook 4 4

4. phantomdragon phantomdragon Public

   phARMACOPHORE BaSED SCORInG FUNCtIoN IMPLEmENTATIONS USING drUG INTERaCTION gRAIL SCoRE CALCULATIOnS

   Jupyter Notebook 3

5. commonHitsApproach commonHitsApproach Public

   Implementation of the common hits approach published in DOI: 10.1021/acs.jcim.6b00674

   Python 2 2

6. GRAIL-Scripts GRAIL-Scripts Public

   Python scripts implementing the workflow for the calculation of feature interaction and atom density grids

   Python 2 1