Computational Chemist: Molecular Modeling & ML

OpenEye, Cadence Molecular Sciences; Santa Fe (NM); Presencial; USD 70 000 - 90 000; Tempo integral

Resumo da oferta

OpenEye, Cadence Molecular Sciences located in Santa Fe, N.M. seeks a Computational Chemist to advance drug design and molecular modeling using the Orion platform. The role focuses on developing scalable workflows and machine learning models for binding free energy calculations. Candidates should possess a PhD in a relevant field and programming skills, preferably in Python. The position offers the opportunity to collaborate with scientific teams while addressing industry challenges. Join us in solving complex problems with innovative solutions.

Qualificações

• PhD (or equivalent) in computational chemistry, chemistry, or related field with 0 – 5 years of relevant experience.
• Knowledge of molecular dynamics simulations and binding free energy calculations.
• Experience in designing hypothesis-driven computational experiments.

Responsabilidades

• Develop highly scalable workflows for relative binding free energy workflows in lead optimization.
• Explore machine learning models using large-scale relative binding free energy calculations.
• Work on retrospective and prospective projects to validate methodologies.

Conhecimentos

Molecular dynamics simulations

Binding free energy calculations

Programming expertise in Python

Machine learning

Team collaboration

Formação académica

PhD in computational chemistry or related field

Ferramentas

OpenEye software/toolkits

Descrição da oferta de emprego

OpenEye, Cadence Molecular Sciences located in Santa Fe, N.M. seeks a Computational Chemist to advance drug design and molecular modeling using the Orion platform. The role focuses on developing scalable workflows and machine learning models for binding free energy calculations. Candidates should possess a PhD in a relevant field and programming skills, preferably in Python. The position offers the opportunity to collaborate with scientific teams while addressing industry challenges. Join us in solving complex problems with innovative solutions.