AI Computational Chemist - Peptide Design
Core
Apply computational chemistry, modelling, and AI/ML to support the design and optimisation of peptides and related modalities for drug discovery.
Role type
Senior Scientist, AI Computational Chemist (IC)
Builds
Computational insights and actionable recommendations for peptide-focused drug discovery programmes
Domain
Pharmaceutical R&D, Peptide Design, Computational Chemistry
Deliverable
production ML models | product features
Required skills
Peptide modelling and design, AI/ML for molecular design (including generative approaches), Molecular dynamics, Free energy calculation, Structure-based design, Python programming, PyTorch, TensorFlow, DeepChem, Computational chemistry software
Preferred skills
Biophysics, Structural modelling, Protein dynamics, Cheminformatics, Virtual screening, Compound prioritisation, Workflow development
Technologies
PyTorch, TensorFlow, DeepChem
Responsibilities
Generate high-quality computational insights to guide molecule design and prioritisation, Apply AI/ML techniques to inform decision-making, Collaborate with experimental scientists to shape strategy and guide follow-up studies, Contribute to small molecule cheminformatics and virtual screening activities
Seniority
Senior, hands-on IC
