Senior Engineer, Machine Learning
WSAudiology
PythonPyTorchScikit-LearnTensorflow
Principal Scientist, Computer-Aided Drug Design, CADD
Psivant Therapeutics
full-time
Posted on:
Origin: • 🇺🇸 United States • Massachusetts
Visit company websiteJob Level
Lead
Tech Stack
PythonPyTorchScikit-Learn
About the role
- Design small molecule (and related modality) therapeutics using structural, simulation, ML and assay data aligned to project requirements and timelines
- Lead computational analysis and design activities on cross-functional projects from target selection and druggability analysis to clinical candidate nomination
- Integrate computational tools and medicinal chemistry knowledge for hit identification, hit-to-lead and lead optimization
- Utilize advanced computational strategies across all stages of drug discovery, including hit identification, hit-to-lead and lead optimization
- Analyze simulation and AI/ML results, derive actionable hypotheses, and effectively communicate findings to project teams
- Report to the Senior Director of CADD and collaborate closely with experimental medicinal chemistry, structural biology, and application engineering teams
- Collaborate with the computational development team to align priorities between platform application development and R&D projects
- Develop modifications and drive improvements in internal applications, building on internal physics-based simulation capabilities and assessing fidelity and accuracy of calculations
- Train and mentor team members across the organization on modeling and AI/ML concepts and applications to project needs
Requirements
- PhD in computational chemistry, organic or physical chemistry, physics, or a closely related field
- Minimum of 5 years computer-aided drug design (CADD) or related biotech/pharma experience
- Expertise accelerating small molecule drug discovery projects from target tractability and hit identification through lead optimization
- Demonstrated experience and understanding of physics-based, AI/ML, and generative computational approaches to drug discovery
- Demonstrated record in pharma/biotech advancing drug discovery projects, peer-reviewed publications and inventorship on patent applications
- Excellent communication and collaboration skills in multidisciplinary teams
- Excellent organizational skills and attention to detail
- Proficiency in scientific programming (e.g. Python, R, C++)
- Proficiency in molecular simulation packages (e.g. AMBER, OpenMM, NAMD, Gromacs)
- Proficiency in data science and machine learning tools (e.g. scikit-learn, pytorch)
- Experience mentoring interns, co-ops, and junior scientists
