About Me

My journey from Biological Sciences to Computational Discovery.

amber_run --gpu
> init_docking...
> loading_weights: xgboost_v2.pkl
> binding_score: -9.4 kcal/mol
> status: converged _

Merging Science & Code

I am a Computational Researcher based in New Delhi, currently working with the SCFBio Lab at IIT Delhi. My work focuses on the intersection of High-Performance Computing (HPC) and Biology.

With a strong foundation in both Molecular Dynamics and Machine Learning, I aim to accelerate the drug discovery process. My daily workflow involves managing simulations on supercomputers using AMBER, writing Python scripts to analyze massive datasets, and developing web interfaces to make these tools accessible to the community.

"The future of biology is computational. My goal is to build the tools that interpret the language of life."

Experience & Education

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2023 - Present

PhD Scholar

SIRe, IIT Delhi

Pursuing interdisciplinary research on "Genomic and Proteomic Analysis of Mycobacterium tuberculosis. Integrating Machine Learning with Molecular Dynamics to develop the SEARCH-ML scoring framework.

2019 - Present

Project Scientist

SCFBio, IIT Delhi

Managing High-Performance Computing (HPC) resources and developing web-enabled scientific tools. Responsible for maintaining the Dhanvantari/Sanjeevini software suites and server administration.

2017 - 2019

M.Sc. Bioinformatics

University of Allahabad

Specialized in Genomics, Proteomics, and Computer-Aided Drug Design (CADD). Gained expertise in biological data mining, molecular modeling, and scripting. Graduated with 8.97 CGPA.

2014 - 2017

B.Sc. Biology

University of Allahabad

focused on Zoology and Botany. Graduated with First Division (63.7%), establishing a strong foundation in fundamental biological sciences and life processes.

My Arsenal

Programming

  • Python 3 (NumPy/Pandas)
  • PHP & SQL
  • Bash Scripting
  • HTML5 / CSS3 / JS

Scientific Tools

  • AMBER 22 (MD)
  • GROMACS
  • AutoDock Vina
  • PyMOL & Chimera

Data & ML

  • Scikit-Learn
  • XGBoost / CatBoost
  • Ensemble Learning
  • PDBbind Analysis