Note: The job is a remote job and is open to candidates in USA. US Tech Solutions is a global staff augmentation firm providing talent-on-demand and total workforce solutions. The Data Scientist III contractor will support the capture, storage, and integration of computational drug discovery data to accelerate scientific decision making. The role focuses on designing data structures, workflows, databases, and deployment processes for model inventory, metrics, and results.
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
Skills
- 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
Company Overview
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