Senior Machine Learning Scientist
About Peptilogics: Leaders in Scalable, Rational Design
Peptilogics is a clinical-stage biotechnology company that designs and develops novel peptide therapeutics. The company leverages machine learning, automation, and peptide synthesis to build platforms for science at scale. With its foundations in drug development and engineering, the company’s platforms vertically integrate proprietary hardware, software, bioinformatics, chemistry, and molecular biology to advance basic research, target validation, and clinical trials.
Position Overview
We are seeking a highly skilled and experienced Senior Machine Learning Scientist to drive the development and implementation of DASH, a groundbreaking AI/ML platform for ADME-Tox (absorption, distribution, metabolism, excretion, and toxicity) prediction, designed to reduce reliance on animal testing in preclinical drug development. The role involves close collaboration across Peptilogics’ R&D team.
Essential Functions
- Lead AI/ML model development: Design, build, and train innovative deep learning models to predict ADME-Tox properties from diverse chemical and biological data
- Model validation & optimization: Establish and execute rigorous validation strategies to assess model performance and predictive accuracy, iterating on models to meet the metrics required for regulatory-aligned tools
- Data pipeline & curation: Architect and implement robust data pipelines for the ingestion, curation, normalization, and integration of large-scale datasets, ensuring data is harmonized, adherent to FAIR (Findability, Accessibility, Interoperability, and Reuse) principles, and ready for machine learning applications
- Incorporate biophysical simulation: Collaboratively integrate molecular dynamics (MD) simulation into the AI/ML framework to address vulnerable subpopulations
- Cross-functional collaboration: Work closely with an interdisciplinary team of scientists and potential partners to define data requirements, align model development with specific drug development Contexts of Use (COU), and translate scientific insights into model embodiments
- Strategic innovation: Research and apply state-of-the-art machine learning techniques to enhance the platform's predictive power, interpretability, and scalability, contributing to the platform's long-term success and adoption
Additional Duties and Responsibilities
- Contribute to periodic reporting on program progress, including written reports and presentations
- Contribute to preprints, peer-reviewed publications, and conference presentations
- Perform other duties as assigned
Required Qualifications and Skills
- PhD in chemistry, biology, or a related field or MS in biology, chemistry, or a related field and at least 3 years of experience developing molecular property models
- At least 3 years of experience developing AI/ML models for chemical, biochemical, or biological applications
- Experience using AI/HPC supercomputing resources
- Deep understanding of deep learning and machine learning algorithms, models, training, and evaluation, together with understanding of multimodal chemical, biological, and assay data relevant to ADME-Tox prediction
- High proficiency in developing, training, evaluating, and improving novel AI/ML algorithms using PyTorch and PyG
- Proficiency in data engineering and software engineering
- Exceptional organizational skills, communication skills, and attention to detail; ability to deliver high quality rapidly and contribute to a collaborative, results-driven culture
- Ability to operate with independence and sound judgment in a fast-paced, dynamic environment
- Capable of managing proprietary information securely
- Experience developing AI/ML models for peptides, including nonstandard amino acids
- Experience developing production AI/ML systems
- Familiarity with GxP frameworks and requirements for developing FDA Novel Alternative Methods (NAMs)
Our Commitment to Equal Opportunity
Peptilogics is proud to be an equal opportunity employer. We make hiring decisions based on qualifications, experience, and potential—without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, veteran status, or any other protected status. We welcome candidates from all backgrounds to apply.
Create a Job Alert
Interested in building your career at Peptilogics? Get future opportunities sent straight to your email.
Apply for this job
*
indicates a required field