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Repository contains jupyter notebooks illustrating the use of the Icolos workflow manager

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MolecularAI/IcolosCommunity

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Please note: this repository is no longer being maintained.

IcolosCommunity

Collection of tutorial notebooks for Icolos workflows

Installation

Install the production conda environment using the yml from the main Icolos repo here

conda env create -f environment_min.yml
conda activate icolosprod

Install the Icolos package into the environment:

pip install icolos

Or install the latest version from Github

git clone https://github.com/MolecularAI/Icolos.git
cd Icolos
pip install -e .

You can then launch the notebooks

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Repository contains jupyter notebooks illustrating the use of the Icolos workflow manager

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