Data Scientist III

Mindlance; North Chicago (IL); On-site; USD 83,000 - 124,000; Full time

Job summary

Mindlance is seeking a Data Intelligence Engineer to design computational data pipelines, storage and integration for a computational drug discovery project. You will help build scalable data structures and workflows to support model inventory, metrics, and results tracking.

The contract runs 4 months (Sept–Dec) with remote work. Responsibilities include enabling ingestion from multiple sources, containerization for deployment, and developing scripts for molecule enumeration when time allows.

Qualifications

• Experience in data engineering for scientific data or computational chemistry environments.
• Relational database design and schema development experience.
• Experience building staging, integration, and data pipelines.
• Familiar with machine learning models, model metadata, and result tracking frameworks.
• Familiar with containerization and deployment workflows (Docker, API-based serving).
• Python scripting proficiency.

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 various sources (custom ML models, co-folding affinity results, MPO calculations, other scientific calculations, FEP+ results).
• Facilitate model containerization and deployment on the AID self-service platform to enable automatic API deployment.
• Build data ingestion workflows for result integration with staging tables for inserts/updates.
• Develop scripts to enumerate virtual molecules using Free-Wilson or MMP transformations and compute predictions when time permits.
• Evaluate open-source models and methods to support project goals.

Skills

Python

SQL

Scripting

Database design

Containerization

AWS

EC2

Machine learning

Scientific data

Tools

Docker

API deployment

Job description

Position Title: Data Intelligence Engineer - Design of computational data pipelines, storage & integration

Length of Contract: 4 months (September-December)

Remote

What does your interview process look like? 1 round with Brian Wakefield and Hendrik Goeddeke

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

Contractor Job Description: 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 Client 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.

Required Skills and Experience

• 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.

Preferred Qualifications

• 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.

EEO

Mindlance is an Equal Opportunity Employer and does not discriminate in employment on the basis of – Minority/Gender/Disability/Religion/LGBTQI/Age/Veterans