Computational Chemist for AI-Driven Drug Discovery

Openkrill; United States; Remote; USD 180,000 - 250,000; Full time

Benefits offered by this job

Equity

Healthcare coverage

Parental leave

Mental health support

401(k) matching

Lunch in office

Team offsites

Job summary

Edison Scientific is seeking a Computational Chemist to join our Forward Deployed team, embedded directly with pharma and biotech partners alongside engineers and computational biologists. Your job is to ensure AI-generated chemistry is credible, synthesizable, and useful to real drug discovery teams.

You’ll build benchmarks, evaluate agent outputs, and work with medicinal chemists to find where AI creates value in design, synthesis, testing, and analysis cycles. This is onsite and collaborative.

Qualifications

• Ph.D. in a relevant chemistry field and 5+ years in industry
• Experience in lead optimization campaigns from hit identification to nomination
• Ability to collaborate with medicinal chemists and AI engineers

Responsibilities

• Improve AI agent performance for hit-to-lead tasks in chemistry
• Design benchmarks and acceptance criteria for chemistry-focused workflows
• Partner with client chemists to integrate AI agents into discovery processes
• Assess chemistry outputs for structural soundness and actionable insights
• Collaborate with engineers and computational biologists daily
• Support scoping, metrics, and evaluation with GTM teams

Skills

Python

Adaptability

Travel readiness

Education

Ph.D. in Computational/Medicinal/Organic Chemistry

Tools

RDKit

Schrödinger

MOE

Job description

Edison Scientific is seeking a Computational Chemist to join our Forward Deployed team, embedded directly with pharma and biotech partners alongside engineers and computational biologists. Your job is to ensure AI-generated chemistry is credible, synthesizable, and useful to real drug discovery teams.

You’ll build benchmarks, evaluate agent outputs, and work with medicinal chemists to find where AI creates value in design, synthesis, testing, and analysis cycles. This is onsite and collaborative.