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Principal Scientist
Principal Scientist-December 2024
New York
Dec 4, 2025
About Principal Scientist

  Schrodinger, Inc. seeks a Principal Scientist for its New York, NY location.Duties: Research and develop python software programs for predicting the physical and chemical properties of molecules. Apply knowledge of scientific literature in the field of machine learning in relation to chemistry and implement machine learning approaches to form scientific papers into prototype software that can be tested for accuracy and performance. Propose and execute numerical experiments to verify the predictive power of machine learning models, including suggesting relevant hypotheses to determine effective computational methods, engineering the programming workflows necessary to run the experiments, and analyzing the data that come out of these experiments. Apply knowledge of several computational techniques and technologies, such as Python, PyTorch, Kubernetes, automation systems, and data visualization libraries. Apply techniques from linear algebra, calculus, and statistics. Create algorithms written in computer code that can be shared and understood by multiple team members. Communicate with other scientists and engineers involved in machine learning processes. Use knowledge of clustering software and the ability to write software for execution across many machines. Present scientific results through lectures or slideshows to both internal and external scientists, as well as mentor junior team members with computation skills.Requirements: Must possess MS in Computer Science, Statistics, Applied Mathematics, Machine Learning Science or a closely related field plus 2 years of experience as an Associate Scientist, Machine Learning Engineer, Senior Scientist, Software Engineer or closely related occupation in drug discovery or pharmaceutical industry. Employer will also accept a Doctorate in Computer Science, Statistics, Applied Mathematics, Machine Learning Science or a closely related field plus 1 year of experience as an Associate Scientist, Machine Learning Engineer, Senior Scientist, Software Engineer or closely related occupation in drug discovery or pharmaceutical industry. Work experience must include Python programming, PyTorch ability, application of scientific methods to run experiments, applied mathematics, and machine learning. May work from home but must be able to report to New York, New York office at least 2 days per week. Salary range is from $138,500 to $182,000/per year. Qualified applicants must send resumes to [email protected] ref: 128625. Direct applicants only.

  Minimum Salary: 138,500Maximum Salary: 182,000Salary Unit: Yearly

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