semvec/pypi-packages huggingface dataset:
sobo 0.2.0
Regioselectivity of the iridium-catalyzed borylation.
Requires Python: >=3.9,<4.0

# Environment setup
Start with setting up a new `conda` virtual environment (venv)

```bash
> conda create --name sobo python=3.9
```

and activate the created venv

```bash
> conda activate sobo
```

# Install dependencies
Get `openbabel` and `xtb` dependencies

```bash
> conda install -c conda-forge openbabel
...
> conda install -c conda-forge xtb
...
```

Then install the SoBo method

```bash
> pip install sobo
```