Principal Computational Chemist: Drug Discovery & Equity

Superluminal Medicines, Inc.; Boston (MA); On-site; USD 150,000 - 210,000; Full time

Benefits offered by this job

401(k) match

Massachusetts transportation subsidy

Equity

Unlimited PTO

Disability and life insurance

Job summary

Superluminal Medicines is seeking a Senior/Principal Scientist in Computational Chemistry to drive design and tool development for small molecule discovery. You will combine physics-based modeling, ML predictions, and structural biology with medicinal chemistry input to accelerate programs.

Join a team delivering iterative Computational Chemistry support, workflows, and cross-disciplinary collaboration in a fast-moving biotech environment focused on candidate optimization and program milestones.

Qualifications

• PhD in Computational Chemistry, Biophysics, or related field.
• 1–3+ years in biotech/pharma supporting small molecule discovery.
• Strong knowledge of physics-based and ML chemistry tools.
• Excellent ability to communicate design rationale to diverse scientists.
• Experience designing synthesizable compounds aligned with goals.

Responsibilities

• Integrate physics-based simulations with ML predictions to prioritize compounds for synthesis.
• Collaborate with interdisciplinary scientists to develop hypotheses and experiments.
• Design and prioritize chemical matter to hit program milestones (POC, ADMET, selectivity).
• Develop, validate and deploy CDTM workflows for Design-Make-Test-Analyze cycles.

Skills

Physics-based modeling

Machine learning

Structure-based design

Python scripting

Linux

Cloud computing

RDKit

Schrodinger suite

OpenEye

MOE

FEP

PyTorch

Education

PhD in Computational Chemistry or Biophysics

Tools

Schrodinger suite

OpenEye

MOE

RDKit

scikit-learn

NumPy

Pandas

PyTorch

Job description

Superluminal Medicines is seeking a Senior/Principal Scientist in Computational Chemistry to drive design and tool development for small molecule discovery. You will combine physics-based modeling, ML predictions, and structural biology with medicinal chemistry input to accelerate programs.

Join a team delivering iterative Computational Chemistry support, workflows, and cross-disciplinary collaboration in a fast-moving biotech environment focused on candidate optimization and program milestones.