# ML & Molecular Simulation Scientist at Genesis Therapeutics

- Company: Genesis Therapeutics
- What the company does: Genesis pairs frontier AI with world-class drug hunters to discover small molecule medicines. Built on Pearl and GEMS. Partnered with Gilead and Incyte. Backed by a16z.
- Company website: https://www.genesis.ml
- Type: Startups (AI role)
- Level: Mid level
- Location: San Mateo, CA
- Work setup: On-site
- Posted: 2026-06-12
- Apply by: 2026-10-08
- Apply: https://jobs.ashbyhq.com/genesis-molecular-ai/6e9c55b1-73b6-4881-8b7a-f7838626e17d
- Page: https://www.1752.vc/careers/jobs/genesis-therapeutics-ml-and-molecular-simulation-scientist/

## About the role

We are seeking a ML & Molecular Simulation Scientist to develop and apply methods at the intersection of 3D molecular simulation and machine learning, and see those methods through to real impact in drug discovery programs.

## What they're looking for

- Practical experience with 3D machine learning – geometric deep learning, graph neural networks, equivariant architectures (e.g., SE(3)/E(3) networks), or diffusion models applied to molecular data
- PhD (preferred) in computer science, machine learning, chemical engineering, biophysics, physics, or a closely related field, postdoctoral or industry experience is a plus
- Deep, hands-on expertise in molecular simulation, including MD, enhanced sampling, and/or free energy methods using tools such as GROMACS, AMBER, OpenMM, or NAMD
- Familiarity with structure-based drug design workflows: docking, binding site analysis, protein-ligand interaction modeling using tools such as MOE, or PyMOL
- Proficiency in Python and scientific computing libraries (PyTorch, JAX, NumPy, MDAnalysis, RDKit), comfort with HPC environments and scripting for large-scale simulation workflows
- A track record of applying computational methods to real scientific problems, demonstrated through publications, open-source contributions, or industry impact

Tags: AI