Hi there👋, I am Aaryesh Deshpande
I'm a Master’s student in Bioinformatics at Georgia Tech, specializing in Molecular Dynamics (MD), Machine Learning for Drug Discovery, and Structural Bioinformatics. My research focuses on developing innovative computational toolkits, software and analysis pipelines for advance drug discovery and enzyme studies. Currently, I am currently exploring protein language models for enzyme study and advanced deep learning techniques to enhance the accuracy and efficiency of MD simulations, aiming for effective modeling of biological problems. In addition to my work in Bioinformatics and computational drug discovery, I am also a front-end web developer specializing in Svelte and a 3D artist specializing in Cinema 4D and Houdini.
- Allosteric Regulation and Enzyme Engineering
- Machine Learning for Molecular Dynamics and Drug Discovery
- Bioinformatics Software and Pipeline Development
TensorFlow, PyTorch, Scikit-learn, OpenCV, KivyMD, PyQt, Flask, pandas, NumPy, Biopython, RDkit, DeepChem, MDAnalysis
🔹 GU Drug-Pro Toolkit
A bioinformatics toolkit for early-stage drug discovery, integrating ML-powered ADMET screening.
🔹 Sequence Cluster & Consensus Tool
Hybrid clustering & sequence reconstruction for downstream MD simulations.
– Albert Szent-Györgyi