RDKit easy installation
First, install RDKit on Anaconda
Get started with chemoinformatics.
- Start Anaconda and
Create a virtual environment
Open a terminal.
- Install rdkit
conda install -c rdkit rdkit
- 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.
- Conda is not installed.
- There are two python environments.
conda environment: Location where additional installation is performed.
Colaboratory environment: Use through path.
- 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/')
- All necessary libraries are included.
It's easy.
Let's get started with chemoinformatics.
--that's all--