Post Doc Scientist, Structural Biology and Chemistry

At Gilead, we’re creating a healthier world for all people. For more than 35 years, we’ve tackled diseases such as HIV, viral hepatitis, COVID-19 and cancer – working relentlessly to develop therapies that help improve lives and to ensure access to these therapies across the globe. We continue to fight against the world’s biggest health challenges, and our mission requires collaboration, determination and a relentless drive to make a difference.   Every member of Gilead’s team plays a critical role in the discovery and development of life-changing scientific innovations. Our employees are our greatest asset as we work to achieve our bold ambitions, and we’re looking for the next wave of passionate and ambitious people ready to make a direct impact.   We believe every employee deserves a great leader. People Leaders are the cornerstone to the employee experience at Gilead and Kite. As a people leader now or in the future, you are the key driver in evolving our culture and creating an environment where every employee feels included, developed and empowered to fulfil their aspirations. Join Gilead and help create possible, together. Job Description   At Gilead our pursuit of a healthier world for all people has yielded a cure for hepatitis C, revolutionary improvements in HIV treatment and prevention as well as advancements in therapies for viral and inflammatory diseases and certain cancers.  We set and achieve bold ambitions in our fight against the world’s most devastating diseases, united in our commitment to confronting the largest public health challenges of our day and improving the lives of patients for generations to come.  As a Post Doctoral Scientist at Gilead, you will support the Structural Biology and Chemistry department; working on AI/ML for Small Molecule Drug Discovery. A highly motivated, attentive and self-driven postdoctoral researcher candidate will join the Computational Modeling Group as part of a three-year postdoctoral training program The successful candidate will work at the forefront of innovation by utilizing cutting-edge AI/ML-based technologies.   ***This is a three year fixed-term postdoctoral position.*** Responsibilities: • Detailed evaluation and analysis of AI tools and ML models which can be impactful for various stages of Small Molecule Drug Discovery, from hit identification through hit-to-lead to lead optimization.  • The postdoctoral researcher is expected to clearly communicate these findings via internal Gilead and external presentations, as well as through publishing in high-impact journals.   Essential Functions:   • Utilizing the rich set of historical Gilead data and structures, evaluate co-folding tools, potency models and ADME models in partnership with other Computational Chemists and AI/ML Scientists.   • Implement and analyze methods used to enable virtual screening of ultra-large libraries, including but not limited to Active Learning and Thompson Sampling.   • Investigate the feasibility of utilizing machine learning models to predict properties of heterobifunctional degraders (EPSA, permeability, etc.) using either SMILES strings or three-dimensional conformational ensembles as starting points.   Knowledge, Experience, and Skills:   • Knowledge of machine learning architectures relevant to chemistry and structural biology.   • Strong programming skills in Python and proficiency with ML frameworks.   • Ability to design, implement and evaluate robust model validation strategies, including uncertainty quantification and applicability domain assessment.   • Expertise with cheminformatics toolkits such as RDKit, OpenEye or Schrodinger desired.   • Excellent communication skills (both verbal and technical) and interpersonal skills.   • Must think critically and crea