Published March 31, 2026
| Version v1
Preprint
Open
CausalBioRL: Reinforcement Learning with Causal World Models for Autonomous Drug Discovery
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