CV
Basics
| Name | Ali Khodabandeh Yalabadi |
| Label | AI Ph.D. Researcher |
| yalabadi@ucf.edu | |
| Phone | (407) 664-9188 |
| Url | https://khodabandeh-ali.github.io |
| Summary | Ph.D. candidate and AI researcher with a strong focus on computational drug discovery, machine learning, and data science. Experienced in developing advanced AI models for drug-target interaction prediction, generative molecular design, and algorithmic fairness. Proficient in statistics, data analysis, and predictive modeling, with publications in top-tier venues. Adept at leading projects and managing cross-functional collaborations, combining technical expertise with business acumen. Background in industrial engineering, applying optimization and data-driven strategies to real-world AI challenges. |
Skills
| Programming Languages | |
| Python | |
| SQL | |
| R | |
| MATLAB |
| Python Packages | |
| Pytorch | |
| Numpy | |
| Pandas | |
| Keras | |
| TensorFlow | |
| Scikit-learn | |
| Scipy | |
| matplotlib | |
| seaborn |
| Tools | |
| Git | |
| HTML | |
| CSS | |
| LATEX | |
| Tableau | |
| Minitab | |
| MSP | |
| GAMS | |
| NetLogo | |
| R-Studio | |
| Microsoft Office |
| Quantitative Research | |
| Machine Learning Methods | |
| Artificial Intelligence | |
| Generative AI | |
| Drug Discovery | |
| Graph Neural Networks | |
| Convolutional Neural Networks | |
| Transformers | |
| Mathematical Optimization | |
| Mathematical Modeling |
Work
- 2022 - Present
Graduate Research Assistant
University of Central Florida
Researching drug target interaction, drug discovery, and algorithmic fairness.
- 2023 - Present
Teaching Assistant
University of Central Florida
Machine Learning (Spring 2025), Data Preparation (Fall 2024), Computational Analysis of Social Complexity (Fall 2023), Data mining II (Summer 2023)
- 2021 - 2022
Data Engineer & Analytics Specialist
Keyashian, Tehran, Iran
Designed and optimized data pipelines and workflows to automate business processes, reduce costs, and drive data-informed decisions.
- 2020 - 2021
Junior Data Scientist
KIT, Tehran, Iran
Integrated Instagram data via APIs and applied image processing and Python-based preprocessing for age, gender detection, and analysis.
- 2018 - 2020
Head of Business Planning & Supervision
Farda Digital Transformation Studio, Tehran, Iran
Developed business models and strategies using BP and Canvas frameworks, led financial forecasting and investor materials, and oversaw marketing analytics, hiring, and operations.
- 2018 - 2019
Founder and Chief Executive Officer
MrZoro.ir
Led UI/UX design and product development, built strategic partnerships and teams, managed fundraising and finances, and drove innovation through customer-focused strategies.
Education
Languages
| English | |
| Fluent |
| Farsi | |
| Native |
Publications
-
2025 BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation
Submitted to Bioinformatics Advances 2025
-
2024 FragXsiteDTI: an interpretable transformer-based model for drug-target interaction prediction
Recomb 2024 Oral Presentation, Neurips 2023 Workshop on New Frontiers of AI for Drug Discovery and Development
-
2024 Enhancing supply chain resilience under disruption: analysis of the farmed data by Monte Carlo simulation
International Journal of Systems Science: Operations & Logistics
-
2024 Learning Fair Representations: Mitigating Statistical Dependencies
HCII conference 2023 Oral Presentation
-
2023 Controlling the misinformation diffusion in social media by the effect of different classes of agents
The Computational Social Science Society of the Americas Annual Conference
-
2023 Agent-Based Modeling of C. Difficile Spread in Hospitals: Assessing Contribution of High-Touch vs. Low-Touch Surfaces and Inoculations' Containment Impact
The Computational Social Science Society of the Americas Annual Conference
Awards
Certificates
| Digital transformation | ||
| Sharif University of Technology |
Courses
| Current topics in ML | |
| University of Central Florida - Grade: A | Fall 2024 |
| Machine Learning | |
| University of Central Florida - Grade: A | Spring 2024 |
| Design and Analysis of Algorithms | |
| University of Central Florida - Grade: A | Spring 2024 |
| Computer Vision | |
| University of Central Florida - Grade: A | Fall 2023 |
| Bioinformatics | |
| University of Central Florida - Grade: A | Fall 2023 |
References
| Dr. Ozlem Ozmen | |
| Assistant Professor at University of Central Florida |
| Dr. Ivan Garibay | |
| Professor at University of Central Florida |