Lead Research Officer II , AIDD Central Initiative

The Singapore national program for the utilization of artificial intelligence (AI) in Drug Discovery (AIDD), funded by the Singapore National Research Foundation (NRF) and hosted by the Singapore Agency for Science, Technology and Research (A*STAR) seeks a talented and motivated Senior Software Engineer to join our innovative drug discovery team. AIDD will develop novel machine learning models and algorithms towards the discovery and validation of drug targets, biomarkers, and molecular entities as therapeutics. A cornerstone of our program is the AIDD LeadFactory, a central technology platform specifically designed for AI-driven medicinal chemistry. This cutting-edge facility provides the computational and experimental infrastructure to translate AI-generated insights into tangible chemical matter, enabling rapid iteration and validation in the drug discovery pipeline. As a Senior Software Engineer, you will play a pivotal role in developing and optimizing the computational tools and infrastructure that power our research, with a strong focus on leveraging and developing the capabilities of the AIDD LeadFactory. Key responsibilities: • Design, develop, and maintain robust, scalable, and efficient software solutions for various stages of the drug discovery pipeline (e.g., cheminformatics, bioinformatics, molecular modeling, data analysis). • Collaborate closely with computational chemists, biologists, data scientists, and other engineers to translate scientific requirements into technical specifications and deliver impactful software. • Implement and optimize algorithms for large-scale data processing, scientific simulations, and machine learning models. • Contribute to the development and maintenance of our internal computational platforms and infrastructure. • Ensure code quality, test coverage, and documentation for all developed software. • Stay up-to-date with the latest advancements in software engineering, computational chemistry, and drug discovery. Requirements: • B.Sc., B.Engr. or advanced  degree in Computer Science, Software Engineering, Computational Chemistry, Bioinformatics, or a related field. • Minimum 5 years of industry experience in software development. • Proficiency in programming languages commonly used in scientific computing (e.g., Python, C++, Java, R). • Experience with scientific libraries and frameworks (e.g., RDKit, OpenEye, NumPy, SciPy, Pandas, scikit-learn, TensorFlow/PyTorch), and web-based software platforms. • Familiarity with relational and/or NoSQL databases. • Experience with cloud platforms (e.g., AWS, GCP, Azure) and containerization technologies (e.g., Docker, Kubernetes) is a plus. • Strong problem-solving skills with excellent communication and teamwork skills • Successful applicants will be appointed at a suitable level within the team, with the title and remuneration commensurate with qualifications and professional experience.