Job Description
The Machine Learning Software Engineer will play a critical role in developing cutting-edge AI capabilities within the CDD Vault platform, a scientifically aware and enterprise-level system. The AI module, the newest addition to a suite of nine modules developed over twenty years, is built on the Ruby on Rails framework.
This position involves:
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Molecular Representation & Deep Learning: Enhancing chemically rich vector (CRV) representations and extending ultrafast deep learning similarity searches from 24 million to over 60 billion molecules.
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Generative Bioisosteres & IP Generation: Optimizing AI-driven molecular design to contribute to novel composition-of-matter patents (IP generation).
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AI & Bioinformatics Integration: Unifying chemoinformatics AI (rapid chemical analysis) with bioinformatics (e.g., AlphaFold2 sequence-to-structure capabilities) to create AI-driven drug discovery workflows (QSAR, docking, virtual libraries).
This role requires a strategic combination of software engineering, scientific expertise, and collaboration skills to integrate AI-driven tools into a commercially production-ready product. The Machine Learning Software Engineer will work closely with:
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External partners (e.g., NVIDIA, Schrodinger, DataWarrior)
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Internal leadership (e.g., CEO, CTO, Senior Chemoinformatics Researchers)
The CDD Vault platform currently supports 4+ billion drug discovery data points, 80 million structures, and 20,000 projects. This position will help shape industry-leading AI solutions for scientists worldwide.
Job Responsibilities
Primary tasks include:
- Leveraging AI technologies to enhance scientific research and differentiate CDD’s products.
- Designing, validating, and releasing new versions of the platform to improve scalability and performance.
- Refining the user interface in response to direct feedback from scientific users.
- Rapidly learning and adapting to lead in the evolving field of AI-driven drug discovery.
Position Location:
Remote, or work from our office in Burlingame, California.
Remote-work eligible
Position Type:
Full-time, permanent
Work Eligibility:
United States