Head of Computational Chemistry for Molecule Discovery

Eli Lilly and Company; Boston (MA); On-site; USD 194,000 - 339,000; Full time

Benefits offered by this job

401(k) plan

Pension

Vacation benefits

Medical, dental, vision benefits

Well-being benefits

Job summary

Eli Lily and Company in Boston seeks an expert computational chemist to advance hit-to-lead discovery using virtual screening, cheminformatics, and AI/ML within ExploR&D. You will partner with LSMD and TuneLab to design candidates and accelerate biotech collaborations.

The role requires a PhD with strong Python programming and a proven record in data-driven drug discovery in a fast-paced team.

Qualifications

• PhD in Computational Chemistry, Cheminformatics, CompBiophysics or related field with extensive experience (or MS/BS with long track record).
• Proven ability to apply computational chemistry, virtual screening, and cheminformatics to accelerate drug discovery.
• Strong programming in Python and data analytics with AI/ML skills.

Responsibilities

• Lead from bench applying state-of-the-art computational chemistry, virtual screening, and ML/AI to support target and lead discovery.
• Collaborate with biotech teams and TuneLab to design diverse screening libraries and predictive models.
• Develop data-driven design hypotheses and accelerate project decisions across multiple targets.

Skills

Computational chemistry

Cheminformatics

ML/AI

Python

Data analytics

Scientific programming

RDKit

OpenEye

PyTorch

scikit-learn

Education

PhD in Computational Chemistry, Cheminformatics, CompBiophysics or related

MS with 10+ years industry/academic/research

BS with 15+ years industry/academic/research

Tools

RDKit

OpenEye

PyTorch

scikit-learn

Job description

Eli Lily and Company in Boston seeks an expert computational chemist to advance hit-to-lead discovery using virtual screening, cheminformatics, and AI/ML within ExploR&D. You will partner with LSMD and TuneLab to design candidates and accelerate biotech collaborations.

The role requires a PhD with strong Python programming and a proven record in data-driven drug discovery in a fast-paced team.