An interactive chemical viewer for 2D structures of small molecules
mols2grid mols2grid is an interactive chemical viewer for 2D structures of small molecules, based on RDKit. π Installation mols2grid was developped for Python 3.6+ and requires rdkit (>=2019.09.1), pandas and jinja2 as dependencies. To install mols2grid from a clean conda environment: conda install -c conda-forge ‘rdkit>=2019.09.1’ pip install mols2grid It is compatible with Jupyter Notebook and Google Colab (Visual Studio notebooks and Jupyterlab are not supported) and can run on Streamlit. π Usage import mols2grid mols2grid.display(“path/to/molecules.sdf”, # RDKit’s MolDrawOptions parameters […]
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