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Multi-instance ML platform for molecular property modeling

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MI-PROP - a tool for predictive modelling

MI-PROP tool

Installation

MI-PROP can be installed using conda/mamba package managers.

To install MI-PROP, first clone the repository and move the package directory:

git clone https://github.com/dzankov/MI-PROP.git
cd MI-PROP/

Next, create MI-PROP environment with miprop_env.yaml file:

conda env create -f conda/miprop_env.yaml
conda activate miprop

The installed MI-PROP environment can then be added to the Jupyter platform:

conda install ipykernel
python -m ipykernel install --user --name miprop --display-name "miprop"

Quick start

Python interface

Documentation

The detailed documentation can be found here.

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