Senior Machine Learning Scientist

Intelletec has partnered with a leading pharmaceutical company using the power of AI to discover and develop small molecules that will improve human health and agricultural productivity. The company is extremely well funded, they are on a mission to make better medicines, faster.  

They are looking for a Senior Machine Learning Scientist to improve their abilities in molecular property prediction and optimization for lead optimization. Join a team of experts in a wide range of disciplines--from computational chemistry and structural biology to cloud-native best practices.


  • Design, implement, and evaluate state-of-the-art algorithms in molecular optimization and design in a potency and ADMET prediction setting.

  • Improve ligand-based modeling techniques with the goal of improving out-of-distribution performance when limited training data is available.

  • Develop generative models for molecular optimization.

  • Improve the interpretability of models, and the confidence bounds on their predictions.

  • Engage actively in team collaborations, clearly and efficiently report and present research findings and developments, and write academic papers on novel developments.

Required qualifications:

  • Ph.D. or M.Sc. in Machine Learning, Computer Science, Computational Chemistry, Statistics, or related fields.

  • 5+ years of relevant work experience in machine learning guided molecular optimization. 

  • Hands-on experience with model design/development, training, validation, and deployment.

  • Advanced knowledge with Python-based scientific computing and data analysis: NumPy, scikit-learn, SciPy, Pandas, PyTorch (or TensorFlow), and Matplotlib.

  • Strong analytical and statistical skills.

  • Scientific rigor, healthy skepticism, and detail-orientation in training and analyzing machine learning models.


  • A world-class team of colleagues – scientists from a variety of backgrounds (chemistry, medicine, biology, physics, CS/ML)

  • Opportunities to make a great impact and contributions 

  • Stock compensation plan 

  • Platinum health, dental, and vision benefits

  • 401k with a 4% match

  • Funding for professional development and conference attendance

  • Flexible work schedule

  • Generous parental leave