SOFTWARE DEVELOPER I, Chemical Engineering (ChemE)- Machine Learning for Pharmaceutical Discovery and Synthesis (MLPDS) Consortium , to be partially responsible for the continued development and maintenance of command-line and web-based applications deploying machine learning (ML) models for chemical synthesis planning, property prediction, and molecular design. Responsibilities include the professionalization of software developed by graduate students/postdocs/MLPDS team members; maintaining and continuing the development of a modern web application for submitting and processing long-running ML tasks and storing, retrieving, visualizing, and analyzing results; developing API standards and data structures for ML predictions for synthesis planning, property prediction, and molecular design; defining and codifying reproducible and transferable ELT pipelines for training ML models on chemical data; preparing scripts for facilitating the automatic retraining and deployment of ML models on user-provided chemical and reaction datasets; packaging the application into containerized microservices for deployment using Docker and Kubernetes; developing benchmarking tests; serving as a technical expert, helping transfer software to member companies, and troubleshooting/debugging issues; maintaining a development roadmap; assisting with documentation/manuals; maintaining and improving CI/CD pipelines for software testing/release/deployment; and tracking MIT-company interactions/software.
Job Requirements
REQUIRED : bachelor’s degree in computer science, physical/chemical sciences, or related field; three years of experience with software/web development, preferably working with interdisciplinary teams on applications in the physical sciences; Python and JavaScript fluency; familiarity with Keras, TensorFlow, PyTorch, or related ML code and version control workflows (e.g., Git and GitHub/GitLab); and experience developing web-based, single-page applications using frameworks such as Vue or React. PREFERRED : familiarity with cheminformatics tools (e.g., RDKit) and with cheminformatics, chemical synthesis planning, and/or property prediction. Job #22898-8
6/28/23
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