/sklearn_x_rdkit

tool to prepare rdkit fingerprints for sklearn input

Primary LanguagePython

sklearn_x_rdkit

A convenience-tool for transforming rdkit fingerprints into sparce matrices. This package will be moved and further maintained in my compchemkit, which, at this stage, is only a work in progress package.

Installation in Conda

If not already installed, install pip and git:

conda install git
conda install pip

Then install via pip:

pip install git+git://github.com/c-feldmann/sklearn_x_rdkit