DrugAI

Classification of Drug Like molecule using Neural Networks.

more about DrugAI.. http://gananath.github.io/drugai.html

Requirments

• Python 2.7

• Keras(Theano)

• Pandas

• Scikit-Learn

DrugAI-Gen.py (Update: 9-Apr-2017)

I am also adding a Generator script for creating drug like molecule in this project. Read more from here http://gananath.github.io/drugai-gen.html

Another Dataset for Generation

Because I seen a increase in interest for DrugAI-Gen.py; for programmers I have added another dataset sms.tsv. It contains SMS spams. Try to use it for generating Spam's and Ham's.

citation

@misc{gananath2016,
  author = {Gananath, R.},
  title = {DrugAI},
  year = {2016},
  publisher = {GitHub},
  journal = {GitHub repository},
  howpublished = {\url{https://github.com/Gananath/DrugAI}}
}