Hi, if you are embarking on a journey to start learning Python, or you just need to refresh your mind, perhaps from after a long summer break ;), this is the right place to be! At Clounce, we prepared a number of Jupyter notebooks to help you started (see link below). Each notebook focuses on … Continue reading Python for beginners
Tag: python
Tanimoto Molecular Similarity Experiment
One way to rank and filter molecules from a larger set is to use similarity coefficients. One such way is by using Tanimoto. The experiment below runs similarity tests on a number of molecules using RDKit libraries (http://www.rdkit.org) and Python. Installing RDKit To install RDKit on Ubuntu 14.04 desktop OS, do: sudo apt-get install python-rdkit … Continue reading Tanimoto Molecular Similarity Experiment