## Installation 
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1. Clone the repository: ```git clone https://github.com/raulorteg/QuantumDeepField_molecule```
2. Create the python virtual environment (I use python 3.9.14): ```virtualenv --py=python3.9 qdf```
3. Activate virtualenv  ```source qdf/bin/activate```
4. Install requirements ```python -m pip install -r requirements.txt``` Note: Your system might need a different torch installation (https://pytorch.org/get-started/locally/)