Software Engineer Informatics & Machine Learning

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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:

• 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.
• Generative Bioisosteres & IP Generation: Optimizing AI-driven molecular design to contribute to novel composition-of-matter patents (IP generation).
• 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:

• External partners (e.g., NVIDIA, Schrodinger, DataWarrior)
• 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

This Position Involves:

• 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.
• Generative Bioisosteres & IP Generation: Optimizing AI-driven molecular design to contribute to novel composition-of-matter patents (IP generation).
• 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:

• External partners (e.g., NVIDIA, Schrodinger, DataWarrior)
• 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

Work Eligibility:

United States