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Basics
| Name | Hossam Ashtawy |
| Label | Sr. Director, AI/ML, Ensem Therapeutics |
| hossam.ashtawy@gmail.com | |
| Url | https://ashtawy.github.io/ |
| Summary | Over 15 years of experience in machine learning research and its applications in life sciences. Serving as Sr. Director of AI/ML at Ensem Therapeutics, where I lead predictive and generative modeling efforts as well as physics-based simulations. |
Work
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2024.04 - 2025.03 Sr. Director, AI/ML
Ensem Therapeutics
- Leading the development of a physics-informed AI/ML platform for drug discovery and optimization.
- Contributing to the development of generative models for molecular design and protein metastable-state sampling, leveraging diffusion, autoregressive models, and reinforcement learning.
- Training and evaluating deep learning models for structure and pose prediction, binding affinity, and molecular design.
- Assisting in the design and implementation of an automated pipeline using LLMs, VLMs, and OCSR models to extract biochemical data from patents and scientific literature.
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2022.08 - 2024.02 Director, AI/ML
1859, Inc.
- Led a team of AI/ML scientists to build deep-learning models for drug discovery and optimization.
- Built a scalable compute infrastructure for training and inference, enabling high-throughput screening of billions of compounds
- Developed graph neural networks and SE(3) Transformer models for structure- and ligand-based drug design.
- Implemented generative models to design molecules optimized for potency, selectivity, ADMET, and drug-likeness.
- Communicated technical insights and research outcomes to senior leadership and external stakeholders.
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2019.12 - 2022.07 Staff Machine Learning Scientist
Atomwise
- Designed and implemented Atomwise's ligand-based drug discovery platform, integrating domain-specific constraints and rigorous validation protocols.
- Built pipelines for data ingestion, curation, training, and inference at scale.
- Implemented sample-efficient 3D graph neural networks to model over 30 potency and ADMET properties simultaneously.
- Implemented generative models to design molecules optimized for potency, selectivity, ADMET, and drug-likeness.
- Communicated technical insights and research outcomes to senior leadership and external stakeholders.
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2016.07 - 2019.11 Machine Learning Engineer
Ford Motor Company
- Contributed to the development and enhancement of Path Planning algorithms for Ford's Level 2 autonomous driving system (BlueCruise).
- Assisted in the implementation and evaluation of sensor fusion algorithms for integrating camera and radar inputs.
- Designed and refined real-time models to handle complex road and lane configurations under noisy sensor conditions.
- Researched ML-based trajectory prediction and path-planning algorithms.
Education
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2011.09 - 2016.06 East Lansing, MI, USA
PhD
Michigan State University, East Lansing, MI, USA
Machine Learning and Drug Discovery
- Machine Learning
- Drug Discovery
- Computer Science
- Electrical and Computer Engineering
Skills
| Programming Languages | |
| Python | |
| C/C++ | |
| CUDA | |
| Java | |
| HTML | |
| SQL | |
| R |
| Machine Learning & AI | |
| PyTorch | |
| TensorFlow/Keras | |
| PyTorch Lightning | |
| DeepSpeed | |
| Horovod | |
| LLM Fine-tuning | |
| HuggingFace Transformers | |
| Ray | |
| MLflow | |
| Weights & Biases | |
| XGBoost | |
| Model Context Protocol (MCP) |
| Scientific Computing | |
| Pandas | |
| NumPy | |
| SciPy | |
| Matplotlib | |
| Scikit-learn | |
| Seaborn | |
| Plotly | |
| Dask | |
| PySpark | |
| Numba | |
| Jupyter |
| Life Sciences Tools | |
| Chemoinformatics | |
| Molecular design | |
| Molecular generation | |
| Molecular optimization | |
| Virtual screening | |
| Binding affinity prediction | |
| ADMET prediction | |
| Protein-ligand docking | |
| Molecular dynamics | |
| Monte Carlo | |
| Free energy calculations | |
| RDKit | |
| OpenBabel | |
| AlphaFold | |
| OpenMM | |
| AutoDock | |
| Glide |
| DevOps & Cloud | |
| Docker | |
| Kubernetes | |
| AWS | |
| GCP | |
| Git | |
| CI/CD | |
| Argo | |
| Apache Airflow | |
| FastAPI |
| Development Tools and IDEs | |
| VSCode | |
| Cursor | |
| Jupyter | |
| Copilot | |
| v0 | |
| Bolt |
Interests
| Drug Discovery |
| AI/ML |
| Software Development |
| Automation and Robotics |
Languages
| Arabic | |
| Native speaker |
| English | |
| Fluent |