Demo

Software Engineer Informatics & Machine Learning

Collaborative Drug Discovery - CDD Vault
Newport, VA Intern
POSTED ON 4/17/2026
AVAILABLE BEFORE 5/4/2026
  • Products
    • CDD Vault
      • Why CDD Vault
      • CDD Vault Services
      • Core Functionality
      • Registration
      • Activity
      • Visualization
      • Assays
      • Add-ons
      • ELN
      • Inventory
      • Curves
      • AI
      • Automation
  • Solutions
    • Applications
      • Assay Data Management
      • Macrocycle
      • Protein Therapeutic
      • CRISPR
      • PROTAC
      • Antibody Drug Conjugate
      • Small Molecules & Mixtures
    • Industries
      • Biotech & Pharmaceutical
      • CRO
      • Academics
      • Agritechnology
      • Consortia & Collaborations
      • Consumer Goods
    • User Roles
      • Research Scientist
      • Operations/IT
      • Legal/Regulatory
      • Executive Leadership
      • Investor
      • Startup Founder
  • Customers
    • Testimonials
    • Case Studies
    • Spotlight Interviews
  • Resources
    • Blog
    • News
    • Upcoming Events
    • Upcoming Webinars
    • Past Webinars
    • CDD Vault Updates
    • CDD Vault Snacks
    • Free Visualization Tool
  • About
    • About Us
    • Leadership
    • CDD Book
    • Partners
    • Publications and Citations
    • Security Policy
    • Careers
Book a Demo

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

Hourly Wage Estimation for Software Engineer Informatics & Machine Learning in Newport, VA
$79.00 to $95.00
If your compensation planning software is too rigid to deploy winning incentive strategies, it’s time to find an adaptable solution. Compensation Planning
Enhance your organization's compensation strategy with salary data sets that HR and team managers can use to pay your staff right. Surveys & Data Sets

What is the career path for a Software Engineer Informatics & Machine Learning?

Sign up to receive alerts about other jobs on the Software Engineer Informatics & Machine Learning career path by checking the boxes next to the positions that interest you.
Income Estimation: 
$97,257 - $120,701
Income Estimation: 
$123,167 - $152,295
Income Estimation: 
$176,149 - $220,529
Income Estimation: 
$156,679 - $196,968
Employees: Get a Salary Increase
View Core, Job Family, and Industry Job Skills and Competency Data for more than 15,000 Job Titles Skills Library

Job openings at Collaborative Drug Discovery - CDD Vault

  • Collaborative Drug Discovery - CDD Vault Newport, VA
  • Products CDD Vault Why CDD Vault CDD Vault Services Core Functionality Registration Activity Visualization Assays Add-ons ELN Inventory Curves AI Automatio... more
  • 1 Day Ago

  • Collaborative Drug Discovery - CDD Vault Newport, VA
  • Products CDD Vault Why CDD Vault CDD Vault Services Core Functionality Registration Activity Visualization Assays Add-ons ELN Inventory Curves AI Automatio... more
  • 2 Days Ago

  • Collaborative Drug Discovery - CDD Vault Newport, VA
  • Products CDD Vault Why CDD Vault CDD Vault Services Core Functionality Registration Activity Visualization Assays Add-ons ELN Inventory Curves AI Automatio... more
  • 2 Days Ago

  • Collaborative Drug Discovery - CDD Vault Newport, VA
  • Products CDD Vault Why CDD Vault CDD Vault Services Core Functionality Registration Activity Visualization Assays Add-ons ELN Inventory Curves AI Automatio... more
  • 3 Days Ago


Not the job you're looking for? Here are some other Software Engineer Informatics & Machine Learning jobs in the Newport, VA area that may be a better fit.

  • Constellation Software Engineering, LLC (CSEngineering) Hampton, VA
  • **Future Opportunity** CSEngineering is looking to add a Program Manager to our growing team! This position will lead and drive the planning, programming, ... more
  • 7 Days Ago

  • Leidos Newport, VA
  • Description Ready for your next career step? The Command and Control Incident Management Emergency Response Application (C2IMERA) program in the Leidos Def... more
  • 11 Days Ago

AI Assistant is available now!

Feel free to start your new journey!