Introduction Modern software development is built on top of libraries—reusable building blocks that provide ready-made functionality. As projects grow, they often depend on many libraries, each with its own version requirements. This quickly becomes difficult to manage, especially when the same project needs to run on different machines. To solve this problem, developers use environment … Continue reading Python Poetry Environment Setup for Beginners
Tag: python
Python for beginners
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
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