Scientist II/Senior Scientist, Computational Biophysics
Core
Define scientific requirements and validate molecular simulation workflows for AI agents to ensure reliable drug discovery tools.
Role type
Senior IC computational biophysics scientist (molecular simulation & agentic platform design)
Builds
Validated RBFE/ABFE workflows, automated biophysics tools, and scientific guardrails for LLM agents
Domain
Drug discovery, computational biophysics, molecular simulation
Deliverable
production ML models | product features
Required skills
molecular dynamics simulation, MM/GBSA, free-energy perturbation methods (RBFE/ABFE), molecular parameterization, force field selection, statistical mechanics, protein-ligand binding modeling, scientific validation standards
Preferred skills
OpenMM, OpenFE, large-scale GPU simulation infrastructure, automated scientific workflows, cofolding, ML-assisted molecular modeling, active learning, LLM agent integration
Technologies
OpenMM, OpenFE
Responsibilities
Define scientific requirements for agent-usable biophysics tools; design and validate molecular simulation workflows; establish standards for system setup and quality control; build robust RBFE/ABFE workflows with automated checks; evaluate and integrate open-source simulation tools; identify and mitigate failure modes in simulations; partner with ML and research engineering teams to scale workflows
Seniority
Senior, hands-on IC
