Deep Learning Toolchain for Cheminformatics and Protein Analysis
- rdkit
- sklearn
- numpy
- keras
- [vs-utils] (https://github.com/pandegroup/vs-utils.git)
deepchem
currently requires Python 2.7
###Anaconda 2.7 Download the 64-bit Python 2.7 version of Anaconda for linux here.
Follow the installation instructions
###openbabel
conda install -c omnia openbabel
Follow the onscreen installation instructions
###rdkit
conda install -c omnia rdkit
Follow the onscreen installation instructions
###keras Clone the keras git repository
git clone https://github.com/fchollet/keras.git
Cd into the keras directory and execute
python setup.py install
###vs_utils Clone the vs_utils git repository
git clone https://github.com/pandegroup/vs-utils.git
Cd into the vs-utils directory and execute
python setup.py develop
###deepchem Clone the deep_chem git repository
git clone https://github.com/pandegroup/deepchem.git
Cd into the deepchem directory and execute
python setup.py develop