Teams at Lila Sciences

Define and validate agent-usable computational biophysics tools and workflows for drug discovery. Design, parameterize, and benchmark molecular simulation and binding free-energy (RBFE/ABFE) pipelines, establish QC standards, integrate open-source tools (e.g., OpenMM/OpenFE), identify failure modes, and partner with ML and engineering teams to turn validated protocols into scalable, reproducible APIs and agent-invokable tooling.

Turn research prototypes into scalable, fault-tolerant ML and physics infrastructure for drug discovery. Improve GPU utilization, distributed execution, reproducibility, orchestration, monitoring, and packaging so scientists can run reliable, multi-cluster workflows and agent-usable pipelines.

Lead the development and integration of advanced safety systems for scientific AI applications, building a team and establishing a research strategy.