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other/experiments/mtrsm/README.md

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# Installation
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## Usage
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As below. With `pyenv`.
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### With standalone scripts
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Install dependencies (using pyenv):
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```bash
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pyenv local 3.10.13
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pip install mattersim
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```
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# Usage
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As below.
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Run the script(s):
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```bash
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source .venv-3.10.13/bin/activate
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python <script_name.py>
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```
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### With JupyterLab
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Install dependencies:
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```bash
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pyenv local 3.10.13
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python -m venv .venv-3.10.13
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source .venv-3.10.13/bin/activate
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pip install "mat3ra-api-examples[forcefields]"
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```
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As below. With `pyenv`.
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```bash
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pyenv local 3.10.13
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python -m venv .venv-3.10.13
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source .venv-3.10.13/bin/activate
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pip install mattersim
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```
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See the included notebook.

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