For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital Discovery: https://pubs.rsc.org/en/content/articlehtml/2023/dd/d2dd00146b - aspuru-guzik-group/dionysus
(point1: np.ndarray, point2: list) -> float:\n", + " \"\"\"\n", + " 计算两点之间的欧拉距离,支持多维\n", + " \"\"\"\n", + " distance = 0.0\n", + " for a, b in zip(point1, point2):\n", + " distance += math.pow(a - b, 2)\n", + " return math.sqrt...
(point1: np.ndarray, point2: list) -> float:\n", + " \"\"\"\n", + " 计算两点之间的欧拉距离,支持多维\n", + " \"\"\"\n", + " distance = 0.0\n", + " for a, b in zip(point1, point2):\n", + " distance += math.pow(a - b, 2)\n", + " return math.sqrt...
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