Data Intelligence Engineer

Data Intelligence Engineer - Design of computational data pipelines, storage & integration Project C: Improve decision making through better data capture and integration processes We are seeking a contractor to support the capture, storage and integration of Computational Drug Discovery generated in silico data to enable faster and more informed scientific decision making. This role will help reduce the cycle time from compound design to data visualization and analysis, with the goal of enabling near real-time feedback for novel design ideas. The contractor will work closely with Computational Drug Discovery scientists to design and implement data structures and workflows that support model inventory, metrics and results storage. Responsibilities

• Design and create database tables to support a model inventory, including ontology, model metrics, and model results.
• Enable ingestion and organization of results from a range of sources, including:
• custom machine learning models
• co-folding affinity prediction results
• custom MPO calculations
• other custom scientific calculations
• FEP+ results or related physics-based scoring
• Facilitate model containerization and deployment on the AID self-service platform to enable automatic API deployment.
• Build data ingestion workflows for result integration, including use of staging tables to manage inserts and updates of new data.
• If time permits: Develop scripts to enumerate virtual molecules using Free-Wilson or MMP transformation and compute associated predictions.
• Evaluate open-source models and methods as needed to support project goals.

What are the top 3-5 skills, experience or education required for this position:

1. Python, SQL and scripting

2. Database table creation and maintenance

3. Containerization and AWS EC2 environment (or similar) familiarity

4. Familiar with scientific data and machine learning Experience Level: 5-7 Years, * Strong experience in data engineering, scientific data management, or computational chemistry/cheminformatics environments.

• Proficiency with relational database design and schema development.
• Experience creating and maintaining staging, integration, and data pipelines.
• Working knowledge of machine learning models, model metadata, and result tracking frameworks.
• Familiarity with containerization and deployment workflows such as Docker and API-based model serving.
• Experience with scripting and automation, preferably in Python.
• Familiarity with cheminformatics concepts such as Free-Wilson analysis, matched molecular pairs (MMPs), and virtual molecule enumeration.
• Ability to evaluate open-source tools and models for scientific use cases.
• Strong collaboration and communication skills for working across scientific and technical teams., * Experience supporting drug discovery or CDD-related data workflows.
• Familiarity with FEP+ or related computational chemistry methods.
• Exposure to ontology design and scientific data standardization.
• Experience with cloud or platform-based self-service deployment environments.
• Ability to work independently and deliver high-quality technical solutions in a contractor setting.

InterSources Inc, a Certified Diverse Supplier, was founded in 2007 and offers innovative solutions to help clients with Digital Transformations across various domains and industries. Our history spans over 16 years and today we are an Award-Winning Global Software Consultancy solving complex problems with technology. We recognize that our employees and our clients are our strengths as the diverse talents and opportunities they bring to the table enable us to grow as a global platform and they are causally linked with our success. We provide strategic and technical advice, and we have expertise in areas covering Artificial Intelligence, Cloud Migration, Custom Software Development, Data Analytics Infrastructure & Cloud Solutions, Cyber Security Services, etc. We make reasonable accommodations for clients and employees and we do not discriminate based on any protected attribute including race, religion, color, national origin, gender sexual orientation, gender identity, age, or marital status. We also are a Google Cloud partner company. We align strategy with execution and provide secure service solutions by developing and using the latest technologies that thrive our resources to deliver industry-leading capabilities to our clients and customers, making it convenient for our clients to do business with InterSources Inc. Our teams also drive growth by refining technology-driven client experiences that put the users first, providing an unparalleled experience. This results in strengthening the core technologies of clients, enabling them to scale with flexibility, create seamless digital experiences and build lifelong relationships.