Computational Biologist – Cheminformatics Expert (Remote)

About the role

We are seeking a Computational Biologist with deep expertise in cheminformatics to support AI‑driven drug discovery initiatives. This remote contract position involves analyzing small‑molecule datasets, curating chemical and biological information, and providing insights that guide lead optimization.

Key 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 for AI‑driven 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 that reflect realistic computational drug discovery scenarios.
• Develop reproducible environments and automated testing pipelines to ensure task correctness.

Required profile

• Advanced expertise in computational biology, cheminformatics, or related fields; an advanced degree is highly valued.
• Proven track record in small‑molecule drug discovery and virtual‑screening workflows.
• Experience working with public chemical and bioactivity databases for scientific analysis.

Required skills

• Python programming
• Git and GitHub version control
• Docker containerization
• Cheminformatics toolkits such as RDKit, KNIME, or Schrödinger

What we offer

• Compensation: $80‑$110 per hour
• Flexible commitment: 10‑40 hours per week
• Remote work arrangement
• Contract‑based engagement