Part-Time AI Chemistry Challenge Designer (Python)

Mindrift

Full-time Other-General
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Location
singapore, singapore, Singapore
Posted
June 05, 2026

Job Description

Please submit your CV in English and indicate your level of English proficiency.

Mindrift connects specialists with project-based AI opportunities for leading tech companies, focused on testing, evaluating, and improving AI systems.

Participation is project-based, not permanent employment.

What This Opportunity Involves

You design computational chemistry problems to challenge a frontier AI model. The problem must have an answer verifiable by code, and the problem has to require a specialized tool like GROMACS, PySCF, ORCA, Quantum ESPRESSO, AutoDock Vina, or others. RDKit-style cheminformatics dressed up around generic libraries won't cut it. Each problem runs inside a sealed Linux container with the tool pre-installed and a programmatic judge that grades the model's answer.

  • Pick an anchor tool and design a problem that hinges on its force fields, integrators, electronic-structure methods, basis sets, or pseudopotential w...