Computational Drug Discovery Benchmark Author

Work you will do

• Analyze small-molecule data, compound–target relationships, SAR/SPR or ADMET questions using appropriate computational methods.
• Curate and validate chemical or biological evidence from authorized resources such as ChEMBL, PubChem or DrugBank.
• Build realistic CLI-based benchmark tasks with reproducible environments, automated tests and a scientifically defensible reference approach.
• Review outputs for method validity and practical drug-discovery relevance, and explain the reasoning behind each assessment.

Preferred background

• Deep computational-biology, medicinal-chemistry, cheminformatics or biochemical expertise; an MSc, PharmD or PhD is valued but not mandatory.
• Python ability extending beyond analysis scripts into testable tools or pipelines, plus Git/GitHub and Docker; use platforms such as MOE, OpenEye, Schrödinger, KNIME or RDKit.
• Small-molecule discovery, SAR/QSAR, ADMET or screening experience, with appropriate public chemical/bioactivity data and clear scientific explanations. AI-assisted coding experience is helpful.

Deliverables

• Submit the completed technical artifact or assessment with its supporting evidence, explicit assumptions, reproducible checks where applicable, and concise reasons for each material judgment.
• Address review findings within the agreed scope.

Location and schedule

Remote assignments are scheduled by agreement, with no guaranteed weekly volume. IXO confirms the applicable timing before work.

Pay and working terms

$85 $120/hr USD. The agreed hourly rate, scope, schedule and acceptance criteria are confirmed before work starts. Applying does not guarantee an assignment. Use public, licensed or otherwise authorized material only; do not submit confidential employer information, personal data or restricted research.