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ateferos77/README.md

🧬 About me

I work across two things I care about equally: protein structure and molecular simulation, and data science and deep learning. Antibody–antigen complex prediction and MD on one side; CNNs, single-cell analysis and GPU-accelerated pipelines on the other. My repositories run across both.

MSc in Molecular Biology β€” Bioinformatics track, University of Padova (2026). Thesis carried out at the Zuse Institute Berlin, applying structure prediction to molecular mimicry, where a pathogen epitope resembles a host one closely enough to matter:

In Silico Investigation of Molecular Mimicry in Antibody–Antigen Complexes β€” A Structural Prediction Pipeline for Targets Lacking Experimental Structures

  • 🎯 Currently looking for my next role β€” research, PhD or industry
  • πŸ”¬ Previously Research Intern at Zuse Institute Berlin β€” antibody–antigen structural analysis & explainable AI
  • πŸ“„ Paper accepted at xAI-2026 β€” Stop Throwing Away Your Decoder
  • 🧠 Interests: protein structure & molecular dynamics Β· deep learning & computer vision Β· single-cell genomics
  • βš™οΈ I care about Snakemake, Docker, Slurm and tests as much as the science
  • πŸ’¬ Ask me about AlphaFold on clusters, epitope–paratope mapping, or why your MD run crashed
  • πŸ“« ateferos77@gmail.com

πŸ› οΈ Tech stack

Structural biology & simulation

AlphaFold PyMOL HADDOCK Rosetta Molecular Dynamics Biopython

Languages & machine learning

Python R Julia SQL PyTorch TensorFlow scikit-learn NumPy Pandas SciPy

HPC, pipelines & reproducibility

Slurm Snakemake Docker Linux Bash Git Jupyter Conda

Genomics & data analysis

scRNA-seq Scanpy Seurat Matplotlib ggplot2 Plotly


πŸ“„ Publications

Stop Throwing Away Your Decoder: Extracting the Learnt Local Coordinate System Using Latent-XAI  Accepted

Sunkara V., Rostami A., von Tycowicz C., SchΓΌtte C. β€” 4th World Conference on Explainable AI (xAI-2026)

Identification of Key Genes Involved in Heat Stress Response in Brassica napus

Makvandi et al. β€” Iranian Journal of Genetics and Plant Breeding, 11(1), 71–86 (2022)

πŸ† 2nd Place β€” RahNeshan National Research Competition, Iran National Elite Foundation (2020–2021)


πŸŽ“ Experience & education

When What Where
Aug 2025 – May 2026 Research Intern β€” Ab–Ag Structural Analysis & Explainable AI Zuse Institute Berlin
2024 Β· 3 months Research Intern β€” Computational Drug Discovery Zuse Institute Berlin
2024 Single-Cell RNA-seq Analysis β€” Martello Lab University of Padova
2019 – 2021 Molecular Lab Assistant Consultant Topazgene, Iran
πŸŽ“ 2023 – 2026 MSc Molecular Biology β€” Bioinformatics Track University of Padova
πŸŽ“ 2018 – 2022 BSc Cellular and Molecular Biology Zanjan University

πŸ’¬ Let's talk structure.

Open to research positions, PhD opportunities and industry roles in computational structural biology, bioinformatics and ML for the life sciences.

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  1. tf_clahe_gpu tf_clahe_gpu Public

    GPU-accelerated CLAHE for TensorFlow: ~15x faster than single-threaded OpenCV, with bit-identical output across CPU and GPU

    Python 3

  2. scstability scstability Public

    Bootstrap cluster stability for single-cell RNA-seq

    Jupyter Notebook 1

  3. Butryllus_Brain_scRNAseq Butryllus_Brain_scRNAseq Public

    Jupyter Notebook

  4. Car_Simulation Car_Simulation Public

    You design a new car by specifying a series of sizes. They are grouped into the following categories: 1. the frame length (total length of the car); 2. the shape of the upper profile; 3. the shape …

    Jupyter Notebook

  5. Markov_Models Markov_Models Public

    Jupyter Notebook

  6. BoneAgePrediction BoneAgePrediction Public

    Jupyter Notebook