Machine Learning Scientist

We are seeking a highly motivated Machine Learning Scientist to join our growing company. The ideal candidate will have hands-on experience with machine learning for molecules (either small molecules or larger biomolecules) using both established cheminformatic representations/models and newer deep learning approaches. This is an onsite hybrid role located in Watertown, MA.Level is flexible based on the amount of experience

Job Responsibilities

• Build data processing and curation pipelines for experimental data.
• Design, build, train, and evaluate machine learning models on molecules for molecular generation and a variety of properties, including binding affinity and pharmacokinetic properties. Model architectures will include well established models like Random Forests, Support Vector Machines, or Gaussian Process using fingerprint representations as well as neural network models such as graph convolutional neural networks and transformer-based language models.
• Use trained models for virtual screening and/or generative models to select promising molecules for our programs.
• Expertly use and modify de novo molecule generation systems, such as BoltzGen or Bindcraft.
• Collaborate closely with experimental scientists and other stakeholders to deliver effective models and predictions.
• Stay abreast of emerging research in machine learning for molecules.

Job Requirements

• B.S. in computer science with 4 years of industry experience or Ph.D. in computer science, chemistry, mathematics, or related discipline.
• Industry experience in drug discovery is a plus, and the role level will be determined based on experience.
• Hands on experience with a variety of models for molecules.
• Experience working with at least one cheminformatics software package such as RDKit or OpenEye.
• Hands on experience with at least one deep learning package such as PyTorch or Tensorflow.
• Skilled in Python programming.
• Excellent communication and interpersonal skills.
• Strong analytical and critical thinking skills, both scientifically and in the ability to prioritize tasks, set deadlines, and adapt to shifting priorities.