AI-Driven Cheminformatics Scientist (Hybrid/Remote)

UT MD Anderson; Houston (TX); Hybrid; USD 107,000 - 160,000; Full time

Benefits offered by this job

Medical coverage starting day one

Tuition assistance

Paid holidays and PTO

Retirement plans

Job summary

The University of Texas MD Anderson Cancer Center seeks an AI-driven Computational Chemist to conduct both routine and novel analyses for the A3D3a platform. Responsibilities include proposing chemical matter with generative models, developing QSAR/QSPR models, and collaborating with senior scientists on AI-based drug discovery for cancer therapeutics.

Ideal candidates hold an advanced degree and have Python, PyTorch, and cheminformatics experience, including RDKit, PyMol, and VMD, with a strong

Qualifications

• Bachelor's degree in Chemistry, Biochemistry, Computer Science, or a related field.
• Master's degree preferred; PhD preferred.
• Three years of scientific software or industry development/analysis experience; with advanced degrees, thresholds vary.

Responsibilities

• Apply generative models to propose chemical matter for targets of interest.
• Develop novel methods in coordination with senior scientists.
• Develop QSAR/QSPR models from public and internal data.
• Document work thoroughly.
• Produce output for scientific publications and contribute to said publications.
• Present results at multidisciplinary project meetings and external meetings.

Skills

Python

PyTorch

RDKit

Cheminformatics

Generative AI

Molecular modeling

GPU computing

Education

Bachelor's degree in Chemistry/related field

Master's degree preferred

PhD preferred

Tools

PyMol

VMD

Job description

The University of Texas MD Anderson Cancer Center seeks an AI-driven Computational Chemist to conduct both routine and novel analyses for the A3D3a platform. Responsibilities include proposing chemical matter with generative models, developing QSAR/QSPR models, and collaborating with senior scientists on AI-based drug discovery for cancer therapeutics.

Ideal candidates hold an advanced degree and have Python, PyTorch, and cheminformatics experience, including RDKit, PyMol, and VMD, with a strong