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Scientist in the making!
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Scientist in the making!

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pritampanda15/README.md

Pritam Kumar Panda

Bioinformatician | AI-Driven Drug Discovery Specialist | Stanford Postdoctoral Scholar | Nextflow Ambassador

LinkedIn Twitter Google Scholar Portfolio Stanford Profile YouTube Channel


About Me

I'm currently working as a Postdoctoral Scholar at Stanford University School of Medicine, specializing in AI-driven protein design and molecular modeling for battlefield medicine applications. As a Research Scientist with 8+ years of experience, I advance computational biology through the integration of algorithmic innovation and scalable deployment. I create open-source tools with strong familiarity in full-stack frameworks, uniting scientific research with robust software engineering. My expertise spans automation, performance profiling, and workflow optimization for high-throughput biological data—driving faster therapeutic discovery and measurable R&D impact. I define research frameworks and evaluation methodologies that shape community standards, lead cross-sector collaborations, and mentor emerging scientists. I architect end-to-end workflow systems from foundation models to active learning pipelines transforming computational advances into precision medicine breakthroughs.

Current Focus:

  • Designing novel anesthetics using AI-driven protein design and high-throughput virtual screening
  • Developing multimodal foundation models for protein structure prediction
  • Building open-source tools for reproducible computational biology research

"At the heart of every robust scientific protocol lies rigorous analysis. In an era of exponential data generation—where multi-omic, structural, clinical, and high-throughput datasets proliferate—we face not a scarcity of information but a scarcity of synthesis. My work centers on transforming raw biological noise into mechanistic clarity."


Technical Expertise

Core Competencies

Programming & Computation

  • Python, R, Bash
  • GPU Computing (CUDA, RAPIDS stack)
  • HPC Systems (SLURM, PBS)

AI/ML & Deep Learning

  • TensorFlow, PyTorch, JAX
  • AlphaFold3, RFdiffusion, Boltz-2
  • Foundation models for protein design

Molecular Modeling

  • GROMACS, AutodockGPU
  • Free Energy Perturbation (FEP)
  • Quantum Chemistry (DFT, QM/MM)

Bioinformatics

  • NGS Analysis (WES/WGS, RNA-seq)
  • Single-cell RNA-seq
  • Variant Calling (GATK, Mutect2)

Workflow Automation

  • Nextflow, Snakemake
  • Docker, Singularity
  • CI/CD (GitHub Actions, GitLab)

Cloud & Infrastructure

  • AWS (EC2, S3, HealthOmics)
  • NVIDIA NeMo Framework
  • HPC cluster management

Featured Projects

🧬 Molecular Design Tools

GPU-accelerated molecular docking platform for high-throughput virtual screening. Achieves 10x speedup over CPU implementations using CUDA-accelerated algorithms.

Key Features: High-throughput screening | ML scoring | Virtual screening optimization

Protein-ligand interaction visualizer with 2D ligand structure representation. Generates publication-ready interaction diagrams for structural biology applications.

Key Features: Interaction analysis | Contact mapping | Network visualization

Enhanced protein visualization toolkit with rich color mapping and interactive 3D views for publication-ready figures.

Key Features: Advanced color mapping | Interactive visualization | Publication-ready outputs

💊 Drug Discovery Platforms

Fragment-based drug design GUI with visual atom selection, fragment library management, and combinatorial generation.

Key Features: Real-time ADMET calculations | 3D visualization | SDF export formats

Molecular property analysis package for ADMET calculations and drug-likeness assessment matching Discovery Studio standards.

Key Features: Lipinski's Rule compliance | Drug-likeness scoring | Property prediction

🏥 Clinical Intelligence

Operating Room Bio-Intelligence Twin for real-time patient monitoring with AI clinical support and predictive analytics.

Key Features: Multi-patient dashboard | Predictive analytics | Intelligent alert systems


Community Leadership

Educational Outreach

Created comprehensive tutorial series on YouTube covering:

  • AI-driven drug design
  • NGS analysis workflows
  • Quantum chemistry simulations
  • Molecular dynamics
  • Machine learning in bioinformatics

Impact: Empowering global learners to adopt computational research tools effectively

Connect With Me

I'm always open to collaboration opportunities in:

  • 🧬 AI-driven drug discovery
  • 🔬 Computational biology pipelines
  • 🤖 Foundation models for biological systems
  • 📊 Multi-omics data integration
  • 🚀 Open-source scientific software

Contact:


GitHub Statistics

GitHub Stats

Top Languages


Crafted with dedication to advancing computational biology and precision medicine

Profile Views

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  1. PandaDock PandaDock Public

    PandaDock: A Physics-Based Molecular Docking using Python

    HTML 82 17

  2. Grid-Box-Generator Grid-Box-Generator Public

    This app helps you to generate or define grid box for Autodock Vina and Autodock4

    HTML 2 1

  3. PandaMap PandaMap Public

    Ligand-Protein Interaction Mapping

    HTML 65 10

  4. PandaMap-Color PandaMap-Color Public

    PandaMap-Color: Protein-Ligand Interaction Mapper with customizable color schemes

    Python 5 1

  5. PandaProt PandaProt Public

    A tool for mapping protein-protein, protein-nucleic acid, and antigen-antibody interactions

    HTML 11 3