Senior Scientist - Principal Scientist, Computational Chemistry

About the Company

Superluminal Medicines is a generative biology and chemistry company revolutionizing the speed and accuracy of how small molecule medicines are created. The Company’s platform aims to create candidate-ready compounds with unprecedented speed using a combination of deep biology, computational and medicinal chemistry, machine learning, and proprietary big data infrastructure.

Responsibilities

• Integrate physics-based simulations with ML predictions to achieve quantitative accuracy for compound prioritization
• Collaborate with interdisciplinary scientists to develop actionable hypotheses and design computational experiments
• Design and prioritize chemical matter to hit program milestones such as in vivo POC, selectivity windows, or ADMET optimization
• Develop, validate, and deploy computational workflows to optimize Design-Make-Test-Analyze cycles

Requirements

• Ph.D. in Computational Chemistry, Biophysics, or a related field
• 1-3+ years of experience in biotech or pharma performing computational support for small molecule drug discovery
• Advanced knowledge of physics-based and ML computational chemistry packages
• Experience working with medicinal chemistry teams to design synthesizable compounds
• Proven track record in structure-based small molecule drug discovery
• Expert level use of structure-based drug discovery software (Schrodinger, OpenEye, MOE, etc.)
• Ability to work in a Linux-based environment
• Python scripting experience with RDKit, scikit-learn, numpy, pandas, or pytorch

Preferred Qualifications

• Experience working with structural biology teams using cryo-EM and x-ray crystallography data
• Experience using ML to scale physics-based insights for large-scale virtual screening or FEP-guided lead optimization
• Familiarity with cloud computing infrastructure (AWS, GCS)