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  1. ConformMin-cMCTS ConformMin-cMCTS Public

    ConformMin-cMCTS: Repository for conformational energy global minimization using continuous Monte Carlo Tree Search (CMCTS) algorithm.

    Jupyter Notebook

  2. DiffEMA DiffEMA Public

    DiffEMA (Experimental Model Assessment and Autocompletion): Equivariant diffusion network for crystal structure local quality assessment and auto-completion