- Watertown, Massachusetts, United States
- Senior
- $132K–$259K per year
- 3–6 years
Train, validate and ship predictive models that power our molecular design platform, working with chemists, biologists and engineers.
Compensation
The salary range for this role is $132,000 - $258,500.
Responsibilities
- Train and maintain ML models for ADMET and developability endpoints such as solubility, permeability, metabolic stability, toxicity and aggregation risk.
- Build potency and binding models (QSAR, ligand- and structure-based) to rank and prioritize molecules against targets.
- Develop synthesizability models: synthetic accessibility scoring, reaction-outcome prediction and retrosynthesis-informed filters.
- Apply and fine-tune structure-aware models (GNNs, equivariant networks, protein-ligand structure and docking-informed ML).
- Curate and clean assay data, define scaffold- or time-split benchmarks, and quantify uncertainty and applicability domain.
Requirements
- PhD in computational chemistry, cheminformatics, machine learning or a related field
- MS plus equivalent industry experience
- Nice to have: Publications
- Nice to have: open-source contributions
- Nice to have: competition results