Computational Biologist (Cheminformatics) | Remote

Crossing Hurdles; United States; Remote; CAD 110,000 - 152,000; Part time

Job summary

Crossing Hurdles is seeking a Computational Biology & Cheminformatics Expert for a remote, contract role. You will analyze drug discovery datasets, curate data for AI-driven platforms, and integrate diverse sources to evaluate interactions and lead optimization.

You will also build reproducible environments and benchmarks, applying SAR insights and medicinal chemistry approaches across small-molecule projects.

Qualifications

• Advanced degree in Computational Biology, Cheminformatics, or related field.
• Strong Python coding skills and experience building tools/pipelines, with Git, GitHub and Docker familiarity.
• Experience with cheminformatics toolkits such as RDKit, KNIME, or Schrödinger.
• Proven track record in small-molecule drug discovery and virtual screening workflows.
• Comfort working with public chemical and bioactivity databases for scientific analysis.

Responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets to support AI-driven discovery platforms.
• Evaluate compound-target interactions and lead optimization strategies by integrating diverse data sources.
• Provide expert insights on structure-activity relationships and medicinal chemistry approaches.
• Build and implement code-based benchmark tasks reflecting realistic computational drug discovery scenarios.
• Develop reproducible environments and automated testing pipelines to ensure task correctness.

Skills

Computational Biology

Cheminformatics

Python

Git

Docker

RDKit

KNIME

Schrödinger

Virtual screening

Public databases

Education

Advanced degree in Computational Biology or related field

Tools

GitHub

Job description

Position: Computational Biology & Cheminformatics Expert

Type: Contract

Compensation: $80 - $110/hour

Location: Remote

Commitment: 10-40 hrs/week

Role Responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets to support AI-driven discovery platforms.
• Evaluate compound-target interactions and lead optimization strategies by integrating diverse data sources.
• Provide expert insights on structure-activity relationships and medicinal chemistry approaches.
• Build and implement code-based benchmark tasks reflecting realistic computational drug discovery scenarios.
• Develop reproducible environments and automated testing pipelines to ensure task correctness.

Requirements

• Advanced expertise in Computational Biology, Cheminformatics, or related fields; advanced degree highly valued.
• Strong coding proficiency in Python with experience building tools and pipelines; familiarity with Git, GitHub, and Docker.
• Extensive experience with cheminformatics toolkits such as RDKit, KNIME, or Schr dinger.
• Proven track record in small-molecule drug discovery and virtual screening workflows.
• Comfort working with public chemical and bioactivity databases for scientific analysis.