feat: add models #2

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions

	name: Python package

	on:
	pull_request:
	branches: [main]
	push:
	branches: [main]

	jobs:
	build:
	strategy:
	matrix:
	os: [ubuntu-latest]
	python-version: [3.7, 3.8]
	runs-on: ${{ matrix.os }}

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}

	- name: Setup conda
	uses: s-weigand/setup-conda@v1
	with:
	update-conda: true
	python-version: ${{ matrix.python-version }}
	conda-channels: anaconda, conda-forge
	- name: Install dependencies
	run: \|
	conda install rdkit -c rdkit -y
	conda install xtb-python -c conda-forge -y
	pip install -r requirements.txt
	pip install pytest
	- name: Test with pytest
	run: \|
	pytest test/simulation_regtest.py
	pytest test/test_api.py

Provide feedback