SciVerseGym is a new open Gymnasium environment that frames sequential crystal discovery as an MDP with local/global actions, configurable evaluators, and support for RL, Bayesian optimization, and related workflows.
Beyond structure: Invariant crystal property prediction with pseudo-particle ray diffraction.arXiv preprint arXiv:2509.21778, 2025
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SVGym (SciVerseGym): An Environment for Reinforcement Learning and Bayesian Optimization in Crystal Discovery
SciVerseGym is a new open Gymnasium environment that frames sequential crystal discovery as an MDP with local/global actions, configurable evaluators, and support for RL, Bayesian optimization, and related workflows.