Molecular AI Scientist – Structure-Based Drug Design

SoTalent; Boston (MA); On-site; USD 116,000 - 182,000; Full time

Job summary

SoTalent seeks a Research Scientist in Boston to advance molecular AI for drug discovery, building models for structure-based design and integrating them into discovery pipelines with medicinal chemists and biologists.

PhD in a relevant field, strong Python skills, and experience with PyTorch or JAX are required, along with hands-on work with equivariant networks, transformers, or diffusion models and excellent communication.

Qualifications

• PhD in a relevant field with focus on ML for molecular modeling.
• Strong programming skills in Python; experience with PyTorch or JAX.
• Experience training equivariant networks, transformers, or diffusion models.
• Ability to design controlled experiments validating model rigor.

Responsibilities

• Develop and refine deep learning models for molecular design.
• Integrate ML models into drug discovery pipelines with cross-functional teams.
• Build testing frameworks ensuring model performance translates to scientific results.

Skills

Equivariant nets

Transformers

Diffusion models

Experimental design

Python

Collaboration

Education

PhD (Computational Chemistry/Biophysics/CS/Computational Biology)

Tools

Python

PyTorch

JAX

AWS/GCP

Job description

SoTalent seeks a Research Scientist in Boston to advance molecular AI for drug discovery, building models for structure-based design and integrating them into discovery pipelines with medicinal chemists and biologists.

PhD in a relevant field, strong Python skills, and experience with PyTorch or JAX are required, along with hands-on work with equivariant networks, transformers, or diffusion models and excellent communication.