Senior Machine Learning Scientist (Drug Discovery)

Boston, Massachusetts

  Data Science


About Us:

We are a cutting-edge biotech company dedicated to revolutionizing drug discovery and development through the integration of machine learning and computational chemistry. We are seeking a highly skilled and motivated Machine Learning Engineer to join our team and play a pivotal role in building our computational chemistry engine for drug discovery.


  • Development of Computational Chemistry Engine:

    • Design, develop, and optimize a state-of-the-art computational chemistry engine tailored for drug discovery, leveraging machine learning techniques to enhance accuracy and efficiency.
  • Machine Learning Model Development:

    • Build and deploy machine learning models for various stages of drug discovery, incorporating predictive modeling, clustering, and classification algorithms to analyze biological and chemical data.
  • Integration of Machine Learning into Computational Chemistry:

    • Apply machine learning methodologies to traditional computational chemistry processes, integrating data-driven insights to enhance predictive modeling and accelerate drug discovery timelines.
  • Cheminformatics:

    • Utilize cheminformatics principles and techniques to organize, analyze, and extract meaningful insights from chemical and biological data, contributing to the development of novel drug candidates.
  • Collaboration and Cross-Functional Communication:

    • Collaborate closely with computational chemists, biologists, and other cross-functional teams to understand their requirements and integrate machine learning solutions effectively into the drug discovery pipeline.
  • Model Deployment and Productionization:

    • Develop strategies for deploying machine learning models into production environments, ensuring scalability, reliability, and seamless integration with existing systems.
  • Performance Optimization:

    • Continuously optimize machine learning models and algorithms to improve prediction accuracy, computational efficiency, and overall system performance.


  • Bachelor’s, Master’s, or Ph.D. in Computer Science, Computational Chemistry, Bioinformatics, or a related field.
  • Proven experience in building and deploying machine learning models in a production environment, preferably in the biotech or pharmaceutical industry.
  • Strong expertise in computational chemistry, cheminformatics, and traditional computational chemistry techniques.
  • Proficiency in programming languages such as Python, and experience with machine learning frameworks and libraries like TensorFlow, PyTorch, scikit-learn, etc.
  • Knowledge of drug discovery processes, including target identification, lead optimization, and ADMET properties.
  • Excellent problem-solving skills and the ability to work in a collaborative, fast-paced team environment.

???????    Preferred Skills:

  • Familiarity with cloud computing platforms and technologies.
  • Experience in working with large-scale biological and chemical datasets.
  • Knowledge of regulatory requirements and best practices in drug discovery.