Published March 31, 2026 | Version v1

CausalBioRL: Reinforcement Learning with Causal World Models for Autonomous Drug Discovery

  • 1. NeoForge Labs

Description

Model-based RL framework integrating causal discovery, structural causal models, and do-calculus planning for drug discovery. Features a DrugDiscovery-v0 Gymnasium environment (244D obs, 130D action), hierarchical planner (UCB1 + CEM), adaptive reward learner, and surrogate docking. Benchmarked against PPO, SAC, and random baselines across 3 environments.

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causalbiorl_rl_drug_discovery.pdf

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Additional details

Related works

Continues
Preprint: 10.5281/zenodo.19347040 (DOI)

Software

Repository URL
https://github.com/cod3smith/neorx
Programming language
Python
Development Status
Active