Computational Chemist (AI)

Location: San Diego headquarters; remote work available for candidates based in the US, with exceptions for outstanding candidates.

Salary: Research Scientist II $124,000–$156,000 per year; Senior Research Scientist $137,000–$172,000 per year.

Company

hirify.global Therapeutics is a clinical-stage life-science and technology company developing medicines with an AI-driven drug discovery and development platform.

What you will do

• Apply ligand- and structure-based methods across hit identification, hit-to-lead, and lead optimization.
• Guide design cycles by identifying structure–activity relationships and integrating computational predictions with bioactivity data.
• Design, evaluate, and prioritize virtual libraries with medicinal chemists.
• Integrate structure-based drug design methods with transformer-based property prediction technology and protein–ligand co-folding technology.
• Develop, validate, and maintain computational workflows and tools.
• Present methods, results, implications, and recommendations to internal project teams and external partners.

Requirements

• PhD or equivalent degree in computational chemistry or a related field, with at least 2 years of relevant drug discovery experience.
• Experience supporting active small-molecule drug discovery programs.
• Experience with ligand- and structure-based design tools.
• Proficiency in Python for scientific computing, data analysis, and computational workflow development.
• Excellent written and verbal communication skills, including the ability to explain complex scientific concepts and technical results clearly.

Nice to have

• Industry experience supporting active drug discovery programs.
• Experience with MOE, Schrödinger, OpenEye, or equivalent molecular modeling platforms.
• Familiarity with molecular dynamics, molecular docking, MM/GBSA, FEP, and advanced binding-affinity prediction methods.
• Experience with machine-learning-augmented small-molecule discovery.

Culture & Benefits

• Inclusive environment focused on collaboration across AI, chemistry, and biology.
• Company-paid healthcare and flexible spending accounts.
• Voluntary life insurance and 401(k) matching.
• Uncapped vacation.
• State-of-the-art San Diego facility with an onsite gym and dining.