Advisor: Autonomous Agent Research for Molecule Discovery

Scorpion Therapeutics; Indianapolis (IN); On-site; USD 120,000 - 180,000; Full time

Benefits offered by this job

Company bonus

401(k)

Pension

Vacation

Medical/dental/vision/prescription

Flexible benefits

Life insurance

Time off

Well-being benefits

Job summary

Scorpion Therapeutics is seeking an AI/ML scientist to work with scientists on autonomous agents for molecule discovery. You will design RL environments, curate reward signals, and post-train models for chemistry/biology tasks, integrating with RDKit and ELN/LIMS tools.

The role emphasizes hands-on model training, tool integration, and evaluating task suites with MLflow, in a collaborative scientific setting at Scorpion Therapeutics.

Qualifications

• PhD or MS/BS with lab collaboration/hands-on experience.
• ~1–2 years applying AI/ML in scientific disciplines (biology, chemistry, neuroscience, etc.).
• Hands-on experience training/post-training AI models.

Responsibilities

• Partner with scientists to build autonomous agents for molecule discovery tasks.
• Design and build reinforcement learning (RL) environments with appropriate state/action/termination semantics for discovery.
• Curate and engineer reward functions from noisy scientific signal.
• Post-train domain models (SFT, DPO/GRPO/PPO, reward modeling, distillation) on chemistry and biology tasks.
• Integrate learned policies with domain tools (RDKit, molecular graph ML, ELN/LIMS APIs, instrument drivers) to execute real DMTA tasks.
• Build evaluation infrastructure (task suites, scoring harnesses, regression/experiment tracking e.g., MLflow).

Skills

Python

PyTorch

TensorFlow

JAX

HuggingFace

RL methods

Reward modeling

Agent SDK

Molecular representation learning

Generative chemistry

Cloud

Kubernetes

Education

PhD or MS/BS with related field

Tools

OpenAI Agent SDK

LangChain

Smol agents

TRL

GitHub portfolio

AWS

Azure

Nextflow

Argo

Kubernetes

Job description

Scorpion Therapeutics is seeking an AI/ML scientist to work with scientists on autonomous agents for molecule discovery. You will design RL environments, curate reward signals, and post-train models for chemistry/biology tasks, integrating with RDKit and ELN/LIMS tools.

The role emphasizes hands-on model training, tool integration, and evaluating task suites with MLflow, in a collaborative scientific setting at Scorpion Therapeutics.