Computational Biology & Cheminformatics Expert

micro1 is seeking a Computational Biology & Cheminformatics Expert to contribute to a cutting-edge computational drug discovery project. In this role, you will apply your deep domain expertise to help train next-generation AI systems, ensuring that models learn and reason effectively through high-quality, real-world scientific input.

Key responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using advanced computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets from sources like ChEMBL, PubChem, and DrugBank to support AI-driven discovery platforms.
• Evaluate compound-target interactions, ADMET properties, and lead optimization strategies by integrating diverse chemical, biological, and clinical data.
• Build and implement code-based benchmark tasks that reflect realistic computational drug discovery scenarios.
• Assess and review AI-generated outputs for scientific rigor, accuracy, and practical relevance, providing detailed written feedback.

Requirements

• Advanced expertise in Computational Biology, Cheminformatics, Medicinal Chemistry, Biochemistry, or related fields.
• Strong coding proficiency in Python with hands-on experience building tools, pipelines, or testable code.
• Extensive experience with cheminformatics toolkits such as RDKit, KNIME, Schrödinger, OpenEye, or MOE.
• Proven track record in small-molecule drug discovery, SAR/QSAR evaluation, ADMET prediction, or virtual screening workflows.
• Familiarity with Git, GitHub, and Docker for developing reproducible environments.

What we offer

• The opportunity to shape the future of AI in the pharmaceutical and biotech industries.
• A fully remote working environment that values domain expertise and scientific rigor.
• Engagement in complex, multidisciplinary projects that bridge the gap between computational science and artificial intelligence.