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OctMole

by hugging-appsco.huggingface.hugging-apps/octmole

  • Remote endpoint
  • 1 tool
  • MIT
  • octmole_generate Generate 3D molecules from scratch with OctMole (unconditional). A pool of candidates is sampled (stage 1: hierarchical occupancy octree, stage 2: atom types + intra-cell coordinates), then reranked by the model's own atom-type likelihood score, as in the official sampler; the best ones are returned. Returns: HTML 3D viewer, results table, SDF file, XYZ file, and the seed used.

As the server's own listing gives them. We never call a tool.