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khanaiml/README.md

Abdullah Khan

SciML Researcher | AI/ML Engineer
AI for Materials, Energy & Healthcare
Khyber Pakhtunkhwa, Pakistan  ·  MPhil Computer Science (spec: ML)

LinkedIn Kaggle Email

I'm a Scientific Machine Learning (SciML) researcher working at the intersection of AI and the natural sciences, with applications across materials, energy, & healthcare.

Research

▸  First-author paper accepted in the Chinese Journal of Physics (Q1) — physics-informed ML screening and validation of MOF/g-C₃N₄ heterojunction photocatalysts  →  Source Code

▸  MPhil thesis — explainable variational autoencoders with ensemble feature selection for cancer biomarker identification (publication in preparation)

▸  Current work — semantic neuron consolidation | AI for energy management | Pakistan dengue outbreak prediction

AI Engineering & Mentorship

AI Engineer & Trainer — TABSAP  ·  2024–2026

Designed and deployed end-to-end ML solutions for commercial applications — predictive lead scoring, computer vision pipelines, and LLM-powered automation — owning projects from data engineering to production deployment. Created and led a structured 6-month AI/ML internship program with a dedicated research month, bridging the gap between academia and industry, with mentorship publicly recognized in a student testimonial.

Tech

Python PyTorch TensorFlow scikit-learnSHAP Optuna NumPy Pandas Hugging Face Docker FastAPI MLflow GitHub Actions

Open to research collaborations, PhD opportunities, and AI/ML engineering roles.

abdullahkhan.prof@gmail.com

Pinned Loading

  1. mof-gcn-ml-screening mof-gcn-ml-screening Public

    Implementation of "Physics-Informed Machine Learning Screening and Validation of Metal-Organic Framework/g-C3N4 Heterojunctions Photocatalysts." Contains source code for feature engineering, ensemb…

    Jupyter Notebook

  2. ecsg-stability-reproduction ecsg-stability-reproduction Public

    Independent reproduction of ECSG thermodynamic stability prediction with fixed Materials Project split, released checkpoints, and paper-vs-reproduction analysis.

    Jupyter Notebook

  3. ai-materials-screening ai-materials-screening Public

    AI-powered materials screening platform for thermodynamic stability prediction, uncertainty-aware candidate ranking, OOD detection, explainability, and batch discovery workflows.

    Python

  4. multimodal-cancer-reliability multimodal-cancer-reliability Public

    Reliability-first colorectal cancer study combining pathology ViT embeddings and multi-omics data with calibration, robustness, modality-ablation, and failure analysis.

    Jupyter Notebook