AI-Driven Computational Chemistry Drug Discovery Scientist

OpenTrain AI, Inc.; United States; Remote; USD 62,000 - 124,000; Part time

Job summary

OpenTrain AI, Inc. seeks a part-time contractor to contribute to training AI systems in computational chemistry, structural biology, and drug discovery, emphasizing rigorous reasoning, verifiable solutions, and clear explanations.

The role requires PhD-level expertise, hands-on research experience, strong Python skills, and professional English proficiency to craft and assess high-quality problems and model evaluations.

Qualifications

• PhD in computational chemistry, structural biology, biophysics, bioinformatics, medicinal chemistry, biochemistry, or closely related field.
• Hands-on research experience in an academic or industry laboratory.
• Professional written and spoken English at C1 level or higher.
• Practical Python programming ability.
• Experience with scientific writing, reviewing, benchmarking, or model evaluation.

Responsibilities

• Create challenging scientific problems with clear, verifiable solutions.
• Review AI-generated answers for scientific accuracy, rigor, and depth of reasoning.
• Identify subtle scientific errors that require specialist knowledge.
• Write detailed rubrics and reference answers grounded in research literature.
• Explain evaluation decisions clearly in writing.
• Take part in feedback and peer review cycles.
• Apply research knowledge across molecular modeling, structure prediction, virtual screening, docking, QSAR and ADMET modeling, and proteomics or metabolomics analysis.

Skills

Python programming

Scientific writing

Model evaluation

English proficiency

Education

PhD in computational chemistry/structural biology/related field

Tools

GROMACS/AMBER/NAMD/OpenMM

RDKit/QSAR/ADMET

AlphaFold/Rosetta

Job description

OpenTrain AI, Inc. seeks a part-time contractor to contribute to training AI systems in computational chemistry, structural biology, and drug discovery, emphasizing rigorous reasoning, verifiable solutions, and clear explanations.

The role requires PhD-level expertise, hands-on research experience, strong Python skills, and professional English proficiency to craft and assess high-quality problems and model evaluations.