Visualize spaces of embedded chemicals.
The project is a standard python/django project. You can get almost all the dependencies from:
pip install -r requirements.txt
The exception is rdkit, which for "reasons" has to come from your OS's package manager or equivalent. To make sure that rdkit uses the same numpy as cspace, install from requirements.txt before installing rdkit.
If you haven't already, you'll need to install the Xcode command line tools. This is done with:
xcode-select --install
Then set up homebrew. Then it's as simple as:
brew tap rdkit/rdkit
brew install rdkit --with-postgresql --with-python3 --without-numpy
sudo apt-get install python-rdkit librdkit1 rdkit-data
See here. Be forewarned, building from source on windows is pain.