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単純分子の幾何学的特徴

単純分子の幾何学的特徴

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Earth and Nature,Chemistry Classification

Data Structure ? 682.06M

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    README.md

    単純な幾何学的特徴を持つトレーニングファイルとテストファイル。 `平坦度メトリック`:分子の平坦度を測定する指標。0は完全に平坦な分子を示す。 `結合角平面`:分子全体に最適な2D平面と各化学結合がなす角度。 `結合角軸`:分子の主1D軸と各化学結合がなす角度。
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