Senior AI Scientist Drug Discovery Computational Biology

Vytwo; Prosper (TX); Hybrid; USD 140,000 - 190,000; Full time

Job summary

Vytwo in Boston, MA is seeking a Senior AI Scientist to apply advanced AI and machine learning to drug discovery and computational biology. The role emphasizes translational research and collaboration with multidisciplinary teams.

You will develop graph-based models for biological networks, support molecular design efforts for small molecules and biologics, and integrate structural data into workflows. The ideal candidate has a strong track record delivering AI-enabled insights that accelerate

Qualifications

• Experience applying AI/ML to drug discovery and development.
• Proficiency with graph ML in biological networks.
• Familiarity with molecular design for small molecules and biologics.

Responsibilities

• Develop AI/ML models to accelerate therapeutic discovery.
• Build graph-based models for target identification and knowledge graph discovery.
• Collaborate with multidisciplinary R&D teams to translate insights into experiments.
• Integrate structural data into discovery workflows to improve predictions.

Skills

AI/ML in drug discovery

Graph ML

Molecular design

Structural biology

Job description

Position Title | Senior AI Scientist – Drug Discovery & Computational Biology Domain EXP | Healthcare Location | Boston, MA - Hybrid Duration | C2C Must Have | Drug Discovery & Computational Biology Job Description

We are seeking a highly skilled professional with deep expertise in applying Artificial Intelligence and Machine Learning to drug discovery and development. The ideal candidate will have experience in:

• AI and machine learning methodologies for drug discovery, including predictive modeling, lead optimization, and translational research applications.
• Graph machine learning techniques for biological networks, molecular property prediction, target identification, and knowledge graph-based discovery.
• Virtual cell screening and AI-driven target discovery platforms, with particular focus on rare disease research and therapeutic innovation.
• AI-driven molecular design for small molecules and biologics (Abs/VHH), including toxicity prediction, off-target assessment, developability analysis, and candidate optimization.
• Structural biology, including protein structure analysis, molecular interactions, computational modeling, and integration of structural data into drug discovery workflows.

The candidate should demonstrate a strong track record of leveraging advanced computational approaches to accelerate therapeutic discovery and possess the ability to collaborate effectively with multidisciplinary research and development teams.