Machine Learning Research Engineer – Isomorphic Labs

Key Responsibilities

• Develop and optimize machine learning models for large-scale applications in drug discovery and molecular design
• Collaborate with research scientists to implement novel algorithms and improve model performance
• Design and maintain scalable training pipelines for deep learning models on high-performance computing clusters
• Benchmark and validate models against baseline approaches, ensuring reproducibility and robustness
• Contribute to open-source projects and publish findings in peer-reviewed venues
• Optimize inference workflows for deployment in production environments

Requirements

• Master’s or PhD in Computer Science, ML, or a related field with hands‑on research experience
• Strong proficiency in Python and deep learning frameworks (PyTorch/TensorFlow)
• Experience with distributed training (Horovod, Ray, or similar) and GPU acceleration
• Familiarity with molecular modeling, graph neural networks, or generative AI techniques
• Publications or contributions to ML/AI research communities are a plus

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