Responsibilities

• Join an interdisciplinary team spanning engineering, robotics, chemical synthesis, drug discovery, and software development.
• Build and improve computational tools (UIs, algorithms, databases) for Chemify’s integrated platform.
• Use Chemify's chemical data to design, test, and implement algorithms for retrosynthesis of target molecules.
• Assess makeability and estimate success likelihood of predicted reactions.
• Collaborate with the software engineering team to translate research algorithms into software products.
• Work closely with cheminformatics, software engineering, process engineering, and chemistry teams.
• Prepare, process, clean, and annotate datasets for machine learning development.
• Influence data ingestion engines for systematic acquisition of pristine and well-annotated data.
• Develop, benchmark, and iterate on deterministic and AI/Deep Learning methods for retrosynthesis.
• Design, test, and implement algorithms for chemical space exploration and optimize synthetic campaigns.
• Present data and recommendations to the Chemify executive team and customers.
• Contribute across the company as needed.

Requirements

• PhD in Data Science/AI, Computer Science, Cheminformatics, Bioinformatics, or equivalent professional experience.
• Minimum 5+ years of experience with major deep learning frameworks.
• Successful development and deployment of AI/ML/DL tools in high-value applications.
• Deep domain expertise in applied mathematics and AI/ML/DL primitives.
• Cross-functional inclination to partner with software engineers.
• Knowledge of cheminformatics and retrosynthesis.
• Proficiency with ML toolkits (PyTorch, TensorFlow, Scikit-Learn) and high-performance compute clusters.
• Understanding of the latest AI research and implementation efficiency.
• Strong analytical thinking and methodical approach to challenges.
• Proficiency with cloud platforms like AWS for ML applications.
• Enthusiasm for learning new approaches and concepts.
• Keen interest in chemistry and ability to learn chemical concepts quickly.
• Proficiency in contemporary software engineering practices (CI/CD, version control, unit testing).
• Excellent oral and written communication and presentation skills (English fluency).

Desired Skills & Attributes

• Experience in building computational retrosynthesis is a plus.
• Familiarity with RDkit toolkit and reaction SMARTS syntax.
• Experience in developing and deploying large-scale ML algorithms.
• Experience leading interdisciplinary teams under tight deadlines, preferably with Agile/Scrum.
• Experience analyzing large structured and unstructured datasets.
• Familiarity with database tools (RDBMS like MySQL or NoSQL like MongoDB).
• Ability and eagerness to learn novel techniques based on project needs.