Machine Learning Scientist - Drug Discovery

This role will focus on designing, developing, training, and deploying advanced machine learning models and computational engines that support lab-in-the-loop molecular design and optimization . Areas of focus include sequence modeling, molecular structure, conformational ensembles, molecular property prediction, natural language processing, computer vision, and robotics. The successful candidate will work in a highly collaborative, multidisciplinary environment alongside ML scientists, ML engineers, computational scientists, and drug design experts to develop next-generation solutions at the intersection of AI and life sciences., * Design, develop, optimize, evaluate, and deploy advanced deep learning models, including large language models, multimodal transformers, and generative AI models.

• Build and optimize scalable data pipelines supporting machine learning and scientific applications.
• Optimize model training and inference for performance, scalability, and accuracy using multi-GPU and cloud-based infrastructure.
• Develop and maintain MLOps workflows covering model deployment, version control, monitoring, reproducibility, and ongoing model performance.
• Develop machine learning approaches that connect diverse datasets, including genomics, transcriptomics, imaging, molecular, and clinical data.
• Partner with scientists and engineers across disciplines to translate innovative machine learning methods into practical applications for drug discovery, disease research, and biomedical applications.
• Independently troubleshoot complex modeling, software, and infrastructure challenges and drive solutions from development through deployment.

• B.S., M.S., or Ph.D. in Computer Science, Machine Learning, Computational Biology, Data Science, Statistics, Mathematics, or a related quantitative discipline.
• Must be authorized to work in the United States without current or future employer sponsorship.
• 1-5 years of relevant professional experience, including postdoctoral research where applicable.
• Strong foundation in data structures, algorithms, software engineering, and computational problem solving.
• Expert-level Python programming skills.
• Extensive experience with deep learning frameworks such as PyTorch, JAX, or TensorFlow.
• Strong debugging and software development skills, with the ability to independently diagnose and resolve complex technical issues.
• Experience with large-scale or distributed model training, such as DDP, Ray, FSDP, or DeepSpeed.
• Experience with model deployment technologies such as Triton or ONNX.
• Experience working with cloud and/or GPU computing infrastructure.
• Hands-on experience with geometric deep learning, molecular cofolding models, neural force fields, or related scientific ML approaches is highly preferred.

Our client is a leading biotech company seeking a highly motivated AI/ ML Scientist to join their innovative research organization focused on applying artificial intelligence and machine learning to drug discovery and molecular design .