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greenrace666/README.md

Nikil Krishna

Undergraduate student at SASTRA Deemed University, Thanjavur.

Structural computational biology, drug design automation, molecular dynamics, and protein binder design.

Developer stack

Python NumPy Polars SciPy scikit-learn Matplotlib Seaborn Biopython RDKit MDAnalysis OpenMM PyTorch Jupyter

Skills

ML protein structure prediction

AlphaFold Boltz Diffusion-based models

Protein structure prediction and generative modeling.

Drug design

Virtual Screening Fragment-based Design Genetic Algorithm Lead Optimization ADMET

Virtual screening, fragment-based drug design, genetic algorithm and combinatorial chemistry, lead optimization, and ADMET analysis.

Molecular docking and dynamics

AutoDock DiffDock Gromacs OpenMM

Molecular simulation and docking workflows.

Process simulation

Aspen Plus SuperPro Designer DWSIM

Process modeling and simulation tools.

Molecular modelling

ChimeraX PyMOL VMD MOE Schrodinger Maestro

Structure visualization and molecular modelling.

Python

Python Data Analysis Machine Learning Bioinformatics

Molecular visualization, data analysis, machine learning, bioinformatics pipelines, dependency management, and AI automation.

Bioinformatics

Linux BLAST MSA Visual Studio Code Git

Scientific computing, version control, Linux tooling, and sequence analysis.

Programming languages

Python TypeScript

Research direction

I work across molecular visualization, simulation, drug design automation, and protein engineering, with a growing focus on AI-driven in silico workflows.

Connect

Portfolio Blog GitHub LinkedIn X Email

Contact

Open to research conversations, computational biology collaborations, and technical discussions.

Pinned Loading

  1. Drug-design Drug-design Public

    Fragment Based Drug Design of Anthelmintics using Genetic Algorithm

    HTML 3

  2. protfold protfold Public

    Protein Structure Prediction in CPU

    Python

  3. ngs-pipeline ngs-pipeline Public

    Forked from Dhanu577/ngs-pipeline

    NGS data processing Pipeline

    Python

  4. chai1modal chai1modal Public

    Run Chai-1 in Modal H100 GPU

    Python

  5. biocolabs biocolabs Public

    Jupyter Notebook

  6. websitecode websitecode Public

    Portfolio website source code

    TypeScript 1