Principal Scientist

Principal Scientist
(New York, NY).

Duties: Directly supervise and provide instruction on computational skills to junior team members including code review, project management and scientific direction. Define machine learning strategy and select platforms. Set scientific priorities and research roadmaps. Make decisions on data strategies, approve/reject scientific approaches and oversee timelines. Provide subject matter expertise on the current scientific literature in machine learning applied to chemistry. Responsible for the presentation of scientific results through externally facing lectures or slideshows to both internal and external audiences.  

Requirements:  MS in Computer Science, Computer Engineering, Machine Learning or a closely related field plus 3 years of experience as a Senior Scientist or closely related occupation in the biotechnology, material science technology or closely related field. Work experience must include: applied knowledge of Google Cloud Platform, Amazon Web Services, Docker, Kubernetes, Helm, KNative, PyTorch Geometric, RDKit, Plotly Dash, Argo Workflows, Jenkins, Django, Bayesian machine learning methods, Git and GitHub and Cheminformatics; experience running large scale computational experiments utilizing GPU-enabled computing systems in customer environments; applied knowledge of machine learned prediction of Lipophilicity, binding free energy and toxicity; experience designing graph neural networks for chemistry; applied knowledge of Python to write data preprocessing scripts, train models, and analyze results using scientific libraries; experience applying statistical methods and hypothesis testing to evaluate the quality of model predictions; and applied knowledge of SMILES. May work from home but must be able to report to New York, New York office at least 2 days per week.  Salary is $185,000 per year. Qualified applicants must send resumes to apply@schrodinger.com ref: 733494. Direct applicants only.