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Who We Are
Net2Source Inc. isn't just another staffing company, we're a powerhouse of innovation, connecting top talent with the right opportunities. Recognized for 300% growth in the past three years, we operate in 34 countries with a global team of 5,500+. Our mission? To bridge the talent gap with precision—Right Talent. Right Time. Right Place. Right Price.

Title: Cheminformatics Scientist
Duration: 08 months contract
Location: South San Francisco, CA (Hybrid)

Shift: Standard Business Hours

Position Summary
• We are seeking a highly motivated Cheminformatics Scientist to design, evaluate, and build end-to-end small molecule computational workflows within the TuneLab platform.
• This role requires strong hands-on expertise in state-of-the-art computational methods across the drug discovery pipeline, from virtual screening to lead optimization.
• You will work at the intersection of cheminformatics, physics-based modeling, and machine learning, partnering closely with TuneLab software engineering and ML teams to deliver scalable, production-grade workflows.
• This is a high-impact contract role, where you will be expected to independently evaluate tools, make build-vs-buy decisions, and deliver robust workflow solutions.

Responsibilities

Key Responsibilities

End-to-End Workflow Development
• Design and implement workflows spanning:
o Virtual screening (ligand-based and structure-based)
o Hit identification and hit expansion
o Hit-to-lead selection
o Lead optimization

Method Development & Application
• Apply and integrate core computational chemistry and cheminformatics methods, including:

o Ultra-large library search:
Substructure search
Fingerprint and embedding-based similarity search
Shape and pharmacophore-based screening

o Molecular enumeration:
Reaction-based enumeration
Fragment-based design and expansion

o Ligand-based modeling:
QSAR, similarity, clustering, active learning loops

o Structure-based modeling:
Docking, rescoring, pose prediction, structure-aware search

o Physics-based methods:
Molecular dynamics (MD)
Free energy perturbation (FEP) and related approaches

Cross-functional Collaboration
• Partner with:
o Machine Learning teams to integrate predictive and generative models
o Software Engineering teams to productionize workflows and ensure scalability
o Scientific stakeholders to align workflows with drug discovery needs

Qualifications

Required Qualifications:
• PhD or MS in Cheminformatics, Computational Chemistry, Medicinal Chemistry, or related field
• Strong understanding of small molecule drug discovery workflows
• Demonstrated expertise in:

o Substructure and similarity search (fingerprints, graph-based, embedding-based)
o Shape and pharmacophore searching
o Reaction-based and fragment-based enumeration
o Docking and structure-based design
o QSAR and ligand-based modeling
o Active learning and iterative design strategies
o Physics-based simulations (e.g., MD, FEP)

• Hands-on experience with tools such as:
o RDKit, OpenEye, or equivalent
o Docking platforms (e.g., Glide, AutoDock, GOLD)

• Strong programming skills in Python

Preferred Qualifications
• Experience working with ultra-large chemical libraries (e.g., Enamine REAL, WuXi Galaxy)
• Familiarity with generative chemistry approaches (SMILES-, graph-, or diffusion-based models)
• Experience integrating ML models into production workflows
• Experience with workflow orchestration tools (e.g., Airflow, Nextflow)

Additional Notes:
• Hybrid work schedule
• Remote candidates may be considered on a case-by-case basis

Why Work With Us?
We believe in more than just jobs—we build careers. At Net2Source, we champion leadership at all levels, celebrate diverse perspectives, and empower you to make an impact. Think work-life balance, professional growth, and a collaborative culture where your ideas matter.

Our Commitment to Inclusion & Equity
Net2Source is an equal opportunity employer, dedicated to fostering a workplace where diverse talents and perspectives are valued. We make all employment decisions based on merit, ensuring a culture of respect, fairness, and opportunity for all, regardless of age, gender, ethnicity, disability, or other protected characteristics.

Awards & Recognition
• America's Most Honored Businesses (Top 10%)
• Fastest-Growing Staffing Firm by Staffing Industry Analysts
• INC 5000 List for Eight Consecutive Years
• Top 100 by Dallas Business Journal
• Spirit of Alliance Award by Agile1

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