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Basics

Name Hossam Ashtawy
Label Sr. Director, AI/ML, Ensem Therapeutics
Email 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

  • 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.
  • 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.
  • 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.
  • 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

  • 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