{"id":1238,"date":"2020-10-08T15:35:25","date_gmt":"2020-10-08T07:35:25","guid":{"rendered":"http:\/\/ercis.ustb.edu.cn\/?p=1238"},"modified":"2020-10-08T15:35:25","modified_gmt":"2020-10-08T07:35:25","slug":"%e6%95%b0%e5%80%bc%e5%a0%86%e9%a1%b9%e7%9b%ae%e6%9d%90%e6%96%99%e4%b8%93%e4%b8%9a%e7%bb%84%e7%ac%ac10%e6%ac%a1%e4%be%8b%e4%bc%9a%e4%bc%9a%e8%ae%ae%e7%ba%aa%e8%a6%81","status":"publish","type":"post","link":"http:\/\/ercis.ustb.edu.cn\/?p=1238","title":{"rendered":"2020\u5e7410\u67088\u65e5\u6570\u503c\u5806\u9879\u76ee\u6750\u6599\u4e13\u4e1a\u7ec4\u7ec4\u4f1a"},"content":{"rendered":"

\u65f6\u95f4<\/strong>\uff1a2020\u5e7410\u67088\u65e5<\/p>\n

\u5730\u70b9<\/strong>\uff1a\u673a\u7535\u4fe1\u606f\u697c<\/p>\n

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\u4e3b\u6301\u4eba<\/strong>\uff1a\u4efb\u5e05<\/p>\n

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\u4e00\u3001\u4f1a\u8bae\u4e3b\u8981\u5185\u5bb9<\/p>\n

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  3. \u50a8\u6839\u6df1\u5927\u81f4\u8bb2\u89e3\u4e86DeepMD-kit\u8f6f\u4ef6\u7684\u67b6\u6784\uff08\u6982\u89c8\uff09\uff0c\u5927\u81f4\u8bf4\u660e\u4e86\u8f6f\u4ef6\u5305\u542b\u7684\u5404\u90e8\u5206\u6a21\u5757\u4e0e\u529f\u80fd\u3002\u5176\u6838\u5fc3\u4ee3\u78013\u4e07\u6765\u884c\uff0c\u5176\u4e2d\u6a21\u578b\u8bad\u7ec3\u4e0e\u6d4b\u8bd5\u4ee3\u78011\u4e07\u884c\u5de6\u53f3(python\u4e3a\u4e3b)\uff0c\u4e3b\u5e93\u4ee3\u7801\u8fd12\u4e07\u884c(\u5305\u542blammps\uff0cipi\u6a21\u62df\u8f6f\u4ef6\u7684\u52bf\u51fd\u6570\u96c6\u6210\uff0c\u6df1\u5ea6\u52bf\u51fd\u6570\u7684\u5b9e\u73b0\u7b49)\u3002<\/li>\n<\/ol>\n

    \u4e8c\u3001\u884c\u52a8\u9879<\/p>\n

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    1. \u7406\u6e05DeepMD\u4e2d\u9488\u5bf9MD\u6a21\u62df\u7684\u6df1\u5ea6\u5b66\u4e60\u65b9\u6cd5\u4e0e\u8ba1\u7b97\u4f18\u5316\u7684\u5de5\u4f5c\u6d41\u7a0b\uff1b<\/li>\n
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