Senior Cheminformatics Engineer — Scale Drug Discovery

Ten63 Therapeutics; Durham (NC); On-site; USD 130,000 - 190,000; Full time

Benefits offered by this job

Equity

Annual bonus

Health insurance

401K matching

Job summary

Ten63 Therapeutics is seeking a Senior Cheminformatics Software Engineer to turn notebooks and scripts into production-grade cheminformatics software within the BEYOND platform. You will own the core libraries, workflows, data models, APIs, and internal tools used by computational and medicinal chemists at scale.

You will collaborate with scientists across ML, quantum chemistry, and drug discovery to deliver robust, observable systems with user-friendly interfaces and 3D visualization for pose

Qualifications

• MS or PhD in computational chemistry or related field; 5+ years in scientific software.
• Expert-level Python with production-grade design, testing, and CI.
• Proven track record turning research code into maintained software with tests and releases.
• Fluency in cheminformatics and structure-based design; RDKit and related formats.
• Experience with Linux, HPC (SLURM), Git, CI, and SQL for data management.

Responsibilities

• Own the cheminformatics core and its production Python stack.
• Turn methods into user-facing services with clean APIs.
• Run chemistry workflows at scale on SLURM and cloud environments.
• Develop internal web apps and 3D visualization for pose and SAR triage.
• Ensure observability with logging, metrics, and robust documentation.

Skills

Python

Testing and CI/CD

API design

Debugging

Concurrency

Requirements gathering

Problem solving

Education

MS/PhD in Computational Chemistry or related field

Tools

RDKit

OpenBabel

ProLIF

CDK

PyMOL

ICM

VMD

OpenMM

AMBER

GROMACS

Psi4

ORCA

Docker

Kubernetes

Airflow

Prefect

Nextflow

Snakemake

Dask

Ray

PostgreSQL

SQL

FastAPI

Flask

Django

React

Vue

3Dmol

NGL

Mol***

Job description

Ten63 Therapeutics is seeking a Senior Cheminformatics Software Engineer to turn notebooks and scripts into production-grade cheminformatics software within the BEYOND platform. You will own the core libraries, workflows, data models, APIs, and internal tools used by computational and medicinal chemists at scale.

You will collaborate with scientists across ML, quantum chemistry, and drug discovery to deliver robust, observable systems with user-friendly interfaces and 3D visualization for pose