Payam Kelich Profile Pic

Payam Kelich

Postdoctoral Research Associate

University of Illinois Urbana-Champaign

I'm a

I am Payam Kelich, an experienced Python Developer specializing in Molecular Dynamics simulations and Machine Learning with a robust Linux background. I have conducted research in machine learning, molecular dynamics simulations, and automated molecular docking techniques, contributing to drug discovery and providing insights in virology, computational biology, and nanobiotechnology. I have developed tools like BinderSpace and Linux bash scripts to streamline molecular research. Currently, I am focused on cheminformatics and time series forecasting to advance pharmaceutical research and predict molecular dynamic properties.

I graduated with my PhD from the University of Texas at El Paso under the supervision of Dr. Lela Vukovic from the Department of Chemistry and Biochemistry, successfully defending my thesis in December 2023.

I am now working as a Postdoctoral Research Associate at the Beckman Institute, working in Dr. Emad Tajkhorshid's group.

Recently, I had the privilege of serving as an instructor for a summer school program on Pandas, a Python library for data manipulation and analysis. The event was hosted by Dr. Pratyush Tiwary at the University of Maryland Institute for Health Computing. It was a fantastic experience. Check out the videos and notebook at the links below:

Skills

Major Skills

  • Machine learning
  • Data science
  • Cheminformatics
  • Molecular dynamics simulation
  • Molecular docking
  • Data mining
  • Database management
  • Generative AI

Programming Languages

  • Python
  • C
  • Bash Script
  • TCL

Python Machine Learning Libraries

  • NumPy
  • Pandas
  • PyTorch
  • TensorFlow
  • Scikit-Learn
  • Deepchem
  • Matplotlib

Python Cheminformatics Libraries

  • Biopython
  • RDKit

Computational Chemistry Software

  • NAMD
  • AutoDock
  • VMD
  • MOE
  • Schrodinger Maestro
  • MDAnalysis

Operating Systems

  • Linux
  • Unix-based operating systems
  • Docker