MolVS supports Python versions 2.7, 3.4 and 3.5.


MolVS requires RDKit to be installed. On Mac OS X, this is easiest with Homebrew:

brew tap mcs07/cheminformatics
brew install rdkit

The official RDKit documentation has installation instructions for a variety of platforms.

There are a variety of ways to download and install MolVS.

Option 2: Download the latest release

Alternatively, download the latest release manually and install yourself:

tar -xzvf MolVS-0.0.9.tar.gz
cd MolVS-0.0.9
python install

The command will install MolVS in your site-packages folder so it is automatically available to all your python scripts.

Option 3: Clone the repository

The latest development version of MolVS is always available on GitHub. This version is not guaranteed to be stable, but may include new features that have not yet been released. Simply clone the repository and install as usual:

git clone
cd MolVS
python install