Note: The job is a remote job and is open to candidates in USA. InterSources Inc is a global software consultancy providing technology solutions across areas including artificial intelligence, cloud migration, and data analytics infrastructure. The company is seeking a Data Intelligence Engineer to design computational data pipelines, database structures, storage, and integration workflows for scientific and computational drug discovery data. The role involves supporting machine learning model results, containerization, deployment, and near-real-time data visualization and analysis.

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
• 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

Skills

• 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

Benefits

• 100% Remote

Company Overview

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