[PYTHON] RDKit easy installation

First, install RDKit on Anaconda Get started with chemoinformatics.

1. Start Anaconda and Create a virtual environment Open a terminal.
2. Install rdkit 　　conda install -c rdkit rdkit
3. Put in the necessary libraries. Jupyter, scikit-learn, etc.

It's easy. Next, install RDKit on Google Colaboratory Get started with chemoinformatics.

This is also the case with Anaconda It's basically the same, but there are two points to note.

1. Conda is not installed.
2. There are two python environments. conda environment: Location where additional installation is performed. Colaboratory environment: Use through path.
3. First, install. 　　%%bash 　　wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh 　　chmod +x Miniconda3-latest-Linux-x86_64.sh 　　./Miniconda3-latest-Linux-x86_64.sh -b -f -p /usr/local 　　conda install -c rdkit rdkit 4, pass the path. 　　import sys 　　sys.path.append('/usr/local/lib/python3.7/site-packages/')
4. All necessary libraries are included.

It's easy. Let's get started with chemoinformatics.

--that's all--