Senior ML Researcher: Structure-Based Drug Discovery (Remote)

Accendum; United States; Remote; USD 130,000 - 180,000; Full time

Job summary

Accendum in the United States seeks a senior research leader to drive structure-based work at the intersection of generative chemistry, structural biology, and physical simulation. You own the path from a chosen target protein to a set of credible therapeutic candidates, partnering closely with engineering.

The role blends rigorous experimental design with a strong delivery bias: producing code senior scientists can defend and shipping workflows that engineering can operate.

Qualifications

• PhD in computational chemistry, biophysics, structural bioinformatics, CS, or adjacent ML field.
• Experience in modern structural or biomolecular ML (geometric DL, equivariant nets, protein-structure models).
• Strong Python and PyTorch (or JAX); proficient with RDKit, OpenMM or GROMACS, BioPython.
• Track record of published work, preprints, or shipped scientific software.
• Mature software engineering habits: version control, code review, testing, reproducibility.
• Excellent written and spoken English.

Responsibilities

• Lead protein-structure modelling and ligand-protein interaction studies.
• Design, run, and ship virtual screening campaigns over large libraries.
• Pair structural ML with MD and free-energy methods.
• Convert research prototypes into engineering-friendly pipelines.
• Communicate findings to mixed technical and scientific audiences.
• Mentor junior researchers and lift the experimental bar of the team.

Skills

Python

PyTorch

JAX

Geometric deep learning

Equivariant networks

Education

PhD in computational chemistry, biophysics, structural bioinformatics, computer science, or adjacent ML field

Tools

RDKit

OpenMM

GROMACS

BioPython

ESM/AlphaFold models

Job description

Accendum in the United States seeks a senior research leader to drive structure-based work at the intersection of generative chemistry, structural biology, and physical simulation. You own the path from a chosen target protein to a set of credible therapeutic candidates, partnering closely with engineering.

The role blends rigorous experimental design with a strong delivery bias: producing code senior scientists can defend and shipping workflows that engineering can operate.