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Data-CAT 0.7.2

Data-CAT is a databasing framework for the Compound Attachment Tools package (CAT).

Installation

  • Download miniconda for python3: miniconda (also you can install the complete anaconda version).

  • Install according to: installConda.

  • Create a new virtual environment, for python 3.7, using the following commands:

    • conda create --name CAT python

  • The virtual environment can be enabled and disabled by, respectively, typing:

    • Enable: conda activate CAT

    • Disable: conda deactivate

Dependencies installation

Using the conda environment the following packages should be installed:

  • rdkit & h5py: conda install -y --name CAT --channel conda-forge rdkit h5py

Package installation

Finally, install Data-CAT using pip:

  • Data-CAT: pip install data-CAT --upgrade

Now you are ready to use Data-CAT.

Metadata

Release files for Data-CAT 0.7.2

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for Data-CAT 0.7.2
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Built distribution (wheel)

Table of built distributions (wheels) for Data-CAT 0.7.2
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Data_CAT-0.7.2-py3-none-any.whl Python 3 none any Details

Total release size: 105.2 kB

Release files / Data-CAT-0.7.2.tar.gz

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Release files / Data_CAT-0.7.2-py3-none-any.whl

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