遇见数据集

GEOM

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国家生物信息中心2026-08-27 更新2026-08-29 收录
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GEOM is a large-scale molecular conformer dataset containing approximately 37 million three-dimensional conformations with energies and statistical weights for over 450,000 molecules, including QM9 and drug-like molecules with experimental physicochemical and biological properties. It supports molecular property prediction and 3D molecular generation.

创建时间:
2026-08-26
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