Remote Structural Biology & Drug Discovery Scientist

YO AI Labs; New York (NY); Remote; USD 83,000 - 131,000; Full time

Job summary

YO AI Labs is seeking a STEM Expert in Chemistry & Computational Chemistry (PhD) to support AI training projects in chemistry reasoning, reaction modeling, and model evaluation. This is a remote contractor position open worldwide.

You will work on designing chemistry problems, analyzing mechanisms, and benchmarking computational methods with Python and leading chemistry tools. Candidates should have a PhD in Chemistry or related field, hands-on lab or computational experience, and strong

Qualifications

• PhD in Chemistry, Computational Chemistry, Chemical Biology, Materials Science, or a related field.
• Hands-on laboratory or computational research experience.
• Deep expertise in at least one relevant chemistry domain.
• Strong Python or specialized scientific software skills.
• Excellent analytical, problem-solving, and communication skills.

Responsibilities

• Design and evaluate chemistry problems and workflows.
• Analyze reaction mechanisms, spectroscopy, and simulation data.
• Optimize experimental protocols and computational methods.
• Support chemistry-related AI model testing and benchmarking.
• Document scientific findings and provide expert feedback.

Skills

Organic Chemistry

Inorganic Chemistry

Physical Chemistry

Analytical Chemistry

Computational Chemistry

Molecular Dynamics

Python

Scientific Programming

Spectroscopy

AI/ML workflows

Documentation

Education

PhD in Chemistry or related field

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

YO AI Labs is seeking a STEM Expert in Chemistry & Computational Chemistry (PhD) to support AI training projects in chemistry reasoning, reaction modeling, and model evaluation. This is a remote contractor position open worldwide.

You will work on designing chemistry problems, analyzing mechanisms, and benchmarking computational methods with Python and leading chemistry tools. Candidates should have a PhD in Chemistry or related field, hands-on lab or computational experience, and strong