Computational Drug Discovery Benchmark Author

ixolabs.ai; France; Hybride; EUR 102 000 - 144 000; Temps partiel

Résumé du poste

ixolabs.ai is seeking a computational chemist/biologist to analyze small-molecule data, assess SAR/SPR or ADMET questions, and relate compound–target findings using cutting-edge methods.

You will curate evidence from ChEMBL, PubChem or DrugBank, build reproducible benchmark tasks, and review outputs for validity and drug-discovery relevance, with clear rationale.

Qualifications

• In-depth computational-biology, medicinal-chemistry, cheminformatics or biochemical expertise.
• Advanced Python skills including building tools or pipelines.
• Experience with public chemical/bioactivity data and clear explanations.

Responsabilités

• Analyze small-molecule data and relationships using computational methods.
• Curate evidence from resources like ChEMBL, PubChem, DrugBank.
• Build CLI-based benchmarks with reproducible environments and tests.
• Review outputs for method validity and explain reasoning.

Connaissances

Python

Git

Formation

MSc

PharmD

PhD

Outils

MOE

OpenEye

Schrödinger

KNIME

RDKit

Docker

Description du poste

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.