Director of Federated Molecular AI & Generative Design

Scorpion Therapeutics; Boston (MA); On-site; USD 180,000 - 240,000; Full time

Job summary

Scorpion Therapeutics is seeking a Director of Molecular AI & Federated Learning to define the technical vision for privacy-preserving federated learning and generative small-molecule design. The role leads through vision, rigor, and mentorship while not managing people directly.

You will architect federated foundation models, advance self-supervised learning, optimize scalability, and drive multi-task molecular property predictions, with emphasis on ADMET, solubility, and synthetic feasibility.

Qualifications

• PhD in a relevant field (CS/ML/chemistry or related).
• 5+ years of ML experience in drug discovery or equivalent leadership impact.

Responsibilities

• Define and set the technical direction for federated molecular AI and foundation models.
• Mentor and act as principal technical authority; review methods and code.
• Architect federated foundation models for distributed partner data.
• Advance semi-/self-supervised learning for federated constraints.
• Develop communication-efficient federated optimization techniques for non-IID data.
• Profile and optimize scalability; build simulation environments.
• Design multi-task learning with personalized models and meta-learning.
• Create protocols for downstream adaptation and task-specific validation.
• Develop multi-task small-molecule property prediction models (ADMET, solubility, permeability).
• Design/deploy generative chemistry models for de novo design and lead optimization.
• Implement multi-objective design with Pareto-front exploration.

Skills

Federated learning

Distributed ML

Molecular AI

Graph neural networks

Generative chemistry

Leadership (non-manager)

Interpretability/XAI

Publication record

Education

PhD in CS/ML/Computational Chemistry

Tools

PyTorch

RDKit/DeepChem

Scikit-learn

Git

Job description

Scorpion Therapeutics is seeking a Director of Molecular AI & Federated Learning to define the technical vision for privacy-preserving federated learning and generative small-molecule design. The role leads through vision, rigor, and mentorship while not managing people directly.

You will architect federated foundation models, advance self-supervised learning, optimize scalability, and drive multi-task molecular property predictions, with emphasis on ADMET, solubility, and synthetic feasibility.