Thursday, August 4, 2022

Ollivier persistent Ricci curvature, Molecular design, CurvGAN...

Hey guys & some fans,

A short blog on molecular design & Ricci Curvature ... (Hey Russia, I am still taking Perelman's side..) 

1. I have done some work on drug discovery & molecular design using AI. I know lot of you have liked my Forbes comments on COVID when no drug/vaccine was available in the market..

2. I know some of you liked my Ricci Flow (used to solve Poincare Conjecture) & Community detection video which was my submission to Field prize math contest (
https://www.youtube.com/watch?v=z_pjsJisdHQ&t=22s )

Hence, suggesting new way of molecular design using Ollivier Ricci curvature for a graph network
, Graph Neural Networks tested on PDBbind-CN Database (http://pdbbind.org.cn/) with bit of a twist using CurvGANs to predict next molecular structure, affinity binding data etc.  

Here are couple of papers which my fans can read - 
1. Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug design - https://arxiv.org/pdf/2011.10281.pdf
2. Curvature Graph Generative Adversarial Networkshttps://arxiv.org/pdf/2203.01604.pdf 

I will upload the code later in Julia or Python. 

One company which can use this algorithm is 22nd Century Group based in New York (CEO James Mish). 















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