Qualifications

• PhD in computational chemistry or related field with up to 5 years of experience
• Proficiency in molecular dynamics simulations and binding free energy calculations
• Experience in designing computational experiments and making data-driven decisions
• Programming skills, ideally in Python, with familiarity using AI coding agents
• Interest in the pharmaceutical industry and its challenges
• Strong inclination to solve customer-related issues collaboratively and independently

Responsibilities

• Develop scalable workflows for relative binding free energy in lead optimization
• Explore machine learning models like 3D-QSAR using large-scale calculations
• Create data-driven models with 2D cheminformatics and 3D molecular shapes
• Execute retrospective and prospective projects for methodology validation
• Collaborate with Orion project team to enhance compound design workflows

Benefits

• Collaborative work environment that encourages innovation and learning
• Opportunity to work on cutting-edge technology in drug design
• Access to a team of experts in computational chemistry
• Potential for personal development and professional growth
• Flexibility in working on both internal and collaborative projects