tmap is a very fast visualisation library for large, high-dimensional data sets. It was published in 2020 DOI and the code is available on GitHub ( In theory it should be possible to install using conda but it seems the arm-64 format binaries for osx are not being generated ( Fortunately, it is possible to locally build the binary for Apple Silicon.

Detailed instructions and a shell script are available here

I’ve reproduced the script below and can confirm it all works fine on my MacBook Pro M1 Max. You do need to have conda installed (

Put the script in the folder you want to install TMAP then type

Once completed you can check that the env has been created by typing

Activate the conda environment by typing.

I also installed RDKIt, faerun and matplotlib for plotting.

I tested the installation with one of the examples on the tmap GitHub page.

Using MayaChem Tools

MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs. It includes a set of command line Python scripts based on RDKit provide functionality for a variety of tasks,  including a command line Python script based on TMAP that provides functionality to visualize chemspaces.

Using the provided example file SampleChemspace.csv from the MayaChemTools download.

The command to use the script is shown below.

You can view the interactive page here :-

Related Posts