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 Networks - https://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).
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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