[Openchemistry-developers] Regarding 'DeepChem' project Ideas for GSOC 2019

Yashaswi Pathak yashaswi.pathak at research.iiit.ac.in
Thu Mar 14 12:34:53 EDT 2019


Dear Leswing.

I am Yashaswi Pathak, a third year undergraduate student majoring in computer science and computational natural sciences from International Institute of Information Technology, Hyderabad (IIIT-H), India. 
I have been working on modeling a Chemically Intelligent Deep Learning Framework that can predict molecular energies corresponding to equilibrium and non-equilibrium structures and that can be used to perform geometry optimizations. We are currently writing this up for publication.

I was going through 'DeepChem Project Ideas' and I was very thrilled by all of them. All the ideas directly fall under my area of research and I would love so much to contribute in any of the three mentioned projects.

As a starting step I went through https://arxiv.org/abs/1712.02734 [chemnet] and https://arxiv.org/abs/1605.01713 ( https://arxiv.org/abs/1704.02685 ) [DeepLIFT] . 
Please guide me through the with the next steps.

Best Regards
Yashaswi Pathak


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