$ sudo apt-get install python-rdkit librdkit1 rdkit-data How to install RDKit with Conda ¶Ĭreating a new conda environment with the RDKit installed requires one single command similar to the following::
The conda source code repository is available on github and additional documentation is provided by the project website. A possible (but a bit more complex to use) alternative is provided with the smaller and more self-contained Miniconda. The easiest way to get Conda is having it installed as part of the Anaconda Python distribution. It has several analogies with pip and virtualenv, but it is designed to be more “python-agnostic” and more suitable for the distribution of binary packages and their dependencies.
It supports the packaging and distribution of software components, and manages their installation inside isolated execution environments. Cross-platform using Conda ¶ Introduction to Conda ¶Ĭonda is an open-source, cross-platform, software package manager. Below a number of installation recipes is presented, with varying degree of complexity.
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