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Aaryesh-AD/README.md

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Hi thereπŸ‘‹, I am Aaryesh Deshpande

πŸ§‘β€πŸ’» About Me

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.

πŸ”¬ Research Interests

  • Allosteric Regulation and Enzyme Engineering
  • Machine Learning for Molecular Dynamics and Drug Discovery
  • Bioinformatics Software and Pipeline Development

πŸ› οΈ Tech Stack

Languages, Frameworks and Tools

Tech Stack

Python Libraries

TensorFlow, PyTorch, Scikit-learn, OpenCV, KivyMD, PyQt, Flask, pandas, NumPy, Biopython, RDkit, DeepChem, MDAnalysis

🌐 Let's Connect

Portfolio Website ' LinkedIn - Aaryesh Deshpande ' Work Email ' Personal Email


"Life is nothing but an electron looking for a place to rest."

– Albert Szent-GyΓΆrgyi

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  1. DRL-Soccer-Agents DRL-Soccer-Agents Public

    CSE 8803 - DRL Final Project. SoccerTwos agent

    Python

  2. ensemble-pocket-finder ensemble-pocket-finder Public

    Ensemble pocket detection using BioEMU conformational ensembles and a graph attention network.

    Jupyter Notebook

  3. esm-embed esm-embed Public

    Extract sequence embeddings from ESM protein language models with minimal setup.

    Python

  4. State-Conditioned-Hypergraph-Fusion-for-PPAR-Gamma-Ligands State-Conditioned-Hypergraph-Fusion-for-PPAR-Gamma-Ligands Public

    CSE-8803-MLG Course Project: PPAR-Ξ³ Protein-Ligand Interaction Prediction with Graph Neural Networks

    Jupyter Notebook