bwang-ecnu/drug-molecule-properties

Project to predict drug molecules properties with Deep Learning

💊 Drug Molecule Properties Forecasting

The goal of this project is to predict drug molecules properties with Deep Learning.

Quick start

This process supposes that you have Anaconda (or Miniconda) already installed, with git.

To install current project locally and access it, first clone the project (do not copy the $ symbol, it only indicates that they are terminal commands):

$ git clone https://github.com/lgrosjean/drug-molecule-properties.git
$ cd drug-molecule-properties

Next, run the following to create Anaconda environment:

$ conda create -y --name myenv python=3.6
$ conda activate myenv

Then, install depencies:

(myenv) $ pip install -r requirements.txt

Finally, build local project into a propre Python package:

(myenv) $ pip install . -U

Check your installation

(myenv) $ python

>>> import smiley
>>> print(smiley.__version__)
"0.0.2"

To have a better understanding of the package and how to play with your models, please follow this documentation.

Flask application

To install your Flask application, please see this documentation.

References

A full package references is also available for information here.