How To Install rdkit-data on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
2 minutes • 338 words
Introduction
In this tutorial we learn how to install rdkit-data on Ubuntu.
What is rdkit-data
rdkit-data is:
RDKit is a Python/C++ based cheminformatics and machine-learning software environment.
This package contains data files.
There are three methods to install rdkit-data on Ubuntu. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install rdkit-data Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install rdkit-data using apt-get by running the following command:
sudo apt-get -y install rdkit-data
Install rdkit-data Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install rdkit-data using apt by running the following command:
sudo apt -y install rdkit-data
Install rdkit-data Using aptitude
If you want to follow this method, you might need to install aptitude first since aptitude is usually not installed by default on Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install rdkit-data using aptitude by running the following command:
sudo aptitude -y install rdkit-data
How To Uninstall rdkit-data on Ubuntu
To uninstall only the rdkit-data package we can use the following command:
sudo apt-get remove rdkit-data
Uninstall rdkit-data And Its Dependencies
To uninstall rdkit-data and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove rdkit-data
Remove rdkit-data Configurations and Data
To remove rdkit-data configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge rdkit-data
Remove rdkit-data configuration, data, and all of its dependencies
We can use the following command to remove rdkit-data configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge rdkit-data
Dependencies
rdkit-data have the following dependencies:
References
Summary
In this tutorial we learn how to install rdkit-data package on Ubuntu using different package management tools: apt, apt-get and aptitude.