Molecular AI Research Scientist — Drug Discovery

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

Benefits offered by this job

Comprehensive benefits

On-site Boston role

Job summary

Sotalent in Boston, MA, seeks a Research Scientist for Molecular AI to advance structure-based small molecule design using deep learning. You will develop and refine models that accelerate drug discovery and integrate them into real-world pipelines.

Ideal candidates hold a PhD in a relevant field and are proficient in Python with PyTorch or JAX, and have experience with state‑of‑the‑art structure prediction or co-folding systems. Collaboration with chemists and biologists is essential.

Qualifications

• PhD in a relevant field with ML for molecular modeling.
• PhD research focused on machine learning for molecular modeling.
• Proficiency in Python and PyTorch or JAX.
• Experience with state-of-the-art structure prediction or co-folding systems.

Responsibilities

• Create and refine deep learning models for molecular design tasks (affinity estimation, protein–ligand interactions, generative design).
• Build rigorous testing frameworks to ensure model performance translates to scientific results.
• Collaborate with medicinal chemists and structural biologists to integrate models into drug discovery pipelines.

Skills

Equivariant nets

Transformers

Diffusion models

Python

Communication

Collaborative work

Education

PhD in Computational Chemistry

Biophysics

Computer Science

Computational Biology

Tools

PyTorch

JAX

AWS

GCP

Job description

Sotalent in Boston, MA, seeks a Research Scientist for Molecular AI to advance structure-based small molecule design using deep learning. You will develop and refine models that accelerate drug discovery and integrate them into real-world pipelines.

Ideal candidates hold a PhD in a relevant field and are proficient in Python with PyTorch or JAX, and have experience with state‑of‑the‑art structure prediction or co-folding systems. Collaboration with chemists and biologists is essential.