{"id":503,"date":"2019-05-16T14:42:07","date_gmt":"2019-05-16T05:42:07","guid":{"rendered":"https:\/\/www.insilico.jp\/blog\/?p=503"},"modified":"2022-06-29T16:29:05","modified_gmt":"2022-06-29T07:29:05","slug":"in_silico_drug_discovery_c_programming_environment","status":"publish","type":"post","link":"https:\/\/www.insilico.jp\/blog\/2019\/05\/16\/in_silico_drug_discovery_c_programming_environment\/","title":{"rendered":"in silico \u5275\u85ac\u306e\u305f\u3081\u306eC\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u74b0\u5883"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\">\u30d6\u30ed\u30b0\u958b\u59cb<\/h2>\n\n\n\n<p>\u3000\u3053\u3093\u306b\u3061\u306f\u3001\u79c1\u306f\u30a4\u30f3\u30c6\u30fc\u30b8\u30d8\u30eb\u30b9\u30b1\u30a2\u306e\u91d1\u4e95\u3068\u3044\u3044\u307e\u3059\u3002in 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C++\u3067\u3001\u826f\u304f\u4f7f\u3046OS\u306fLinux\u3067\u3059\u3002\u3068\u3044\u3046\u304b\u3001\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u306b\u95a2\u3057\u3066\u8a00\u3048\u3070Linux\u3057\u304b\u4f7f\u3063\u3066\u3044\u307e\u305b\u3093\u3002C++\u306f\u826f\u3044\u8a00\u8a9e\u3060\u3068\u601d\u3063\u3066\u3044\u307e\u3059\u304c\u3001\u6700\u8fd1\u306f Python\u3082\u610f\u8b58\u3057\u3066\u4f7f\u3046\u3088\u3046\u306b\u3057\u3066\u3044\u307e\u3059\u3002\u5b9f\u306fPython\u304c\u7d50\u69cb\u82e6\u624b\u3067\u3059\u3002\u3082\u3057\u304b\u3057\u305f\u3089\u3001Python\u306e\u52c9\u5f37\u306e\u6210\u679c\u307f\u305f\u3044\u306a\u3053\u3068\u3082\u30d6\u30ed\u30b0\u306b\u3059\u308b\u304b\u3082\u3057\u308c\u307e\u305b\u3093\u3002<\/p>\n\n\n\n<!--more-->\n\n\n\n<p>\u3000\u30d6\u30ed\u30b0\u306b\u6163\u308c\u3066\u304d\u305f\u3089\u6709\u540d\u306aChemoinformatics\u306e\u30c4\u30fc\u30eb\u30ad\u30c3\u30c8\u3067\u3042\u308bOpenBabel\u3084RDKit\u3092\u4f7f\u3063\u305f\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u306e\u8a71\u3068\u304b\u3082\u66f8\u3044\u3066\u307f\u3088\u3046\u3068\u601d\u3044\u307e\u3059\u3002\u3082\u3061\u308d\u3093\u79c1\u304c\u82e6\u624b\u306aPython\u306f\u4f7f\u3044\u307e\u305b\u3093\u3088\u3002C++\u3067\u3059\u3088\u3002Python\u3092\u4f7f\u3063\u305fRDKit\u306e\u8a71\u984c\u306f\u30a6\u30a7\u30d6\u4e0a\u306b\u8272\u3005\u3042\u308b\u3051\u3069\u3001C++\u306a\u3089\u3042\u307e\u308a\u898b\u3042\u305f\u3089\u306a\u3044\u3057\u3001\u30cd\u30bf\u88ab\u308a\u3057\u306a\u305d\u3046\u3060\u304b\u3089\u4e01\u5ea6\u826f\u3044\u304b\u3082\u3057\u308c\u307e\u305b\u3093\u306d\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3063\u3066<\/h2>\n\n\n\n<p>\u3000\u8272\u3005\u306a\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u8a00\u8a9e\u306b\u3064\u3044\u3066\u306e\u5165\u9580\u66f8\u3084\u30a6\u30a7\u30d6\u30b5\u30a4\u30c8\u304c\u4e16\u306e\u4e2d\u306b\u306f\u305f\u304f\u3055\u3093\u3042\u308a\u307e\u3059\u3002\u65b0\u3057\u3044\u8a00\u8a9e\u3092\u7fd2\u5f97\u3057\u3088\u3046\u3068\u3059\u308b\u3068\u304d\u3001\u3053\u306e\u3088\u3046\u306a\u66f8\u7c4d\u306a\u3069\u3092\u8aad\u3093\u3067\u3001\u30b5\u30f3\u30d7\u30eb\u30d7\u30ed\u30b0\u30e9\u30e0\u306a\u3069\u5b9f\u884c\u3057\u3066\u307f\u308b\u3053\u3068\u3067\u3057\u3087\u3046\u3002\u3057\u304b\u3057\u306a\u304c\u3089\u3001\u305d\u306e\u30b5\u30f3\u30d7\u30eb\u304c\u6b63\u5e38\u52d5\u4f5c\u3059\u308b\u307e\u3067\u306e\u74b0\u5883\u69cb\u7bc9\u304c\u975e\u5e38\u306b\u9762\u5012\u3060\u3063\u305f\u308a\u3057\u307e\u3059\u3002\u7279\u306b\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u8d85\u521d\u5fc3\u8005\u306e\u65b9\u306a\u3069\u306f\u74b0\u5883\u69cb\u7bc9\u306e\u6642\u70b9\u3067\u632b\u6298\u3057\u3066\u3057\u307e\u3046\u306e\u3067\u306f\u306a\u3044\u3067\u3057\u3087\u3046\u304b\u3002\u3068\u3044\u3046\u304b\u30a8\u30c7\u30a3\u30bf\u306e\u4f7f\u3044\u65b9\u306e\u6642\u70b9\u3067\u632b\u6298\u3057\u305d\u3046\u3067\u3059\u3088\u306d\u3002\u79c1\u3082Python\u3092\u52c9\u5f37\u3057\u3066\u3044\u308b\u306e\u3067\u3059\u304c\u3001\u3053\u308c\u304c\u307e\u305f\u74b0\u5883\u69cb\u7bc9\u304c\u5384\u4ecb\u3067\u3059\u3002Anaconda\u3092\u5229\u7528\u3059\u308b\u3068\u975e\u5e38\u306b\u697d\u306b\u69cb\u7bc9\u51fa\u6765\u308b\u3089\u3057\u3044\u306e\u3067\u3059\u304c\u3001\u672a\u3060\u624b\u3092\u51fa\u3057\u3066\u3044\u307e\u305b\u3093\u3002Python\u306f\u662f\u975e\u3068\u3082\u7fd2\u5f97\u3057\u305f\u3044\u306e\u3067\u3001\u5c11\u3057\u3065\u3064\u3067\u3082\u52aa\u529b\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u3000\u3068\u3053\u308d\u3067\u3001\u79c1\u304c\u666e\u6bb5\u4f7f\u3063\u3066\u3044\u308bC++\u3082\u74b0\u5883\u4f9d\u5b58\u306e\u6fc0\u3057\u3044\u8a00\u8a9e\u3067\u3059\u3002\u3060\u3063\u3066Linux\u4e0a\u3067\u4f5c\u3063\u305f\u30d7\u30ed\u30b0\u30e9\u30e0\u3092Windows\u4e0a\u3067\u30b3\u30f3\u30d1\u30a4\u30eb\u3059\u308b\u3053\u3068\u3059\u3089\u7c21\u5358\u306b\u51fa\u6765\u306a\u3044\u306e\u3067\u3059\u304b\u3089\u3002\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u74b0\u5883\u306f\u4eba\u306b\u3088\u3063\u3066\u5343\u5dee\u4e07\u5225\u3067\u3059\u3002\u305d\u3093\u306a\u308f\u3051\u3067\u3001\u4eca\u56de\u306f\u81ea\u5206\u304cC\/C++\u306e\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3067\u4f7f\u7528\u3057\u3066\u3044\u308b\u30c4\u30fc\u30eb\u3084\u30e9\u30a4\u30d6\u30e9\u30ea\u306a\u3069\u5c11\u3057\u7d39\u4ecb\u3057\u307e\u3059\u3002\u305d\u3082\u305d\u3082\u4f55\u6545C\/C++ \u306a\u306e\u304b\u3068\u3044\u3046\u3068\u3001\u6570\u5024\u8a08\u7b97\u3084\u79d1\u5b66\u6280\u8853\u8a08\u7b97\u3067\u5e83\u304f\u5229\u7528\u3055\u308c\u308b\u8a00\u8a9e\u3067\u3001\u79c1\u304c\u5927\u5b66\u751f\u6642\u4ee3\u304b\u3089\u826f\u304f\u4f7f\u3063\u3066\u3044\u305f\u304b\u3089\u3067\u3059\u3002\uff08\u3042\u3068\u3001\u6570\u5024\u8a08\u7b97\u3067\u306fFortran \u3082\u3088\u304f\u4f7f\u308f\u308c\u307e\u3059\uff09\u79d1\u5b66\u6280\u8853\u8a08\u7b97\u3067\u826f\u304f\u4f7f\u308f\u308c\u308b\u306e\u3067\u3001\u4f55\u51e6\u306e\u30b9\u30fc\u30d1\u30fc\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306b\u3082\u5c02\u7528\u30b3\u30f3\u30d1\u30a4\u30e9\uff08C\/C++, Fortran\uff09\u304c\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u3042\u3068\u3001in silico\u5275\u85ac\u95a2\u9023\u30c4\u30fc\u30eb\u306e\u6838\u5fc3\u90e8\u5206\u306f\u5927\u4f53C\/C++\u3067\u66f8\u304b\u308c\u3066\u3044\u308b\u306e\u3067\u306f\u306a\u3044\u304b\u3068\u601d\u3044\u307e\u3059\u3002\u524d\u8ff0\u3057\u305fOpenBabel\u3084RDKit\u3082C++\u3067\u3059\u3002\u3053\u306e\u3078\u3093\u304c\u79c1\u304cC++\u3092\u611b\u7528\u3059\u308b\u7406\u7531\u3067\u3059\u306d\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">C\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u30c4\u30fc\u30eb<\/h2>\n\n\n\n<p>\u3000\u79c1\u304cC\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3067\u4f7f\u3063\u3066\u3044\u308b\u30c4\u30fc\u30eb\u3092\u601d\u3044\u3064\u304f\u307e\u307e\u306b\u5217\u6319\u3057\u3066\u307f\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<table class=\"wp-block-table aligncenter is-style-stripes\"><tbody><tr><td><strong>\u30c4\u30fc\u30eb\u540d<\/strong><\/td><td><strong>\u8aac\u660e<\/strong><\/td><\/tr><tr><td>Emacs<\/td><td>\u30d7\u30ed\u30b0\u30e9\u30e0\u3092\u66f8\u304f\u305f\u3081\u306e\u30a8\u30c7\u30a3\u30bf<\/td><\/tr><tr><td>Vim<\/td><td>\u3053\u308c\u3082\u30a8\u30c7\u30a3\u30bf\u3060\u304c\u81ea\u5206\u306fviewer\u3068\u3057\u3066\u4f7f\u3063\u3066\u3044\u308b<\/td><\/tr><tr><td>GCC<\/td><td>\u30b3\u30f3\u30d1\u30a4\u30e9<\/td><\/tr><tr><td>Clang<\/td><td>\u30b3\u30f3\u30d1\u30a4\u30e9<\/td><\/tr><tr><td>CMake<\/td><td>\u30d3\u30eb\u30c9\u306e\u81ea\u52d5\u5316\u30c4\u30fc\u30eb<\/td><\/tr><tr><td>Doxygen<\/td><td>Makefile\u306e\u81ea\u52d5\u751f\u6210\u30c4\u30fc\u30eb<\/td><\/tr><tr><td>Git, Subversion<\/td><td>\u30b3\u30fc\u30c9\u306e\u30ea\u30d3\u30b8\u30e7\u30f3\u7ba1\u7406\u30c4\u30fc\u30eb<\/td><\/tr><tr><td>GDB<\/td><td>\u30c7\u30d0\u30c3\u30ac\u30fc<\/td><\/tr><\/tbody><\/table>\n\n\n\n<p>\u3000\u30d1\u30c3\u3068\u601d\u3044\u3064\u304f\u3060\u3051\u3042\u3063\u3066\u3001\u3053\u306e\u30ea\u30b9\u30c8\u306b\u3042\u308b\u3082\u306e\u306fC++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u306b\u306f\u5168\u90e8\u91cd\u8981\u3060\u3057\u3001\u5168\u90e8\u4f7f\u3044\u307e\u3059\u3002\u3080\u3057\u308d\u672a\u3060\u4f55\u304b\u898b\u843d\u3068\u3057\u3066\u3044\u308b\u3068\u601d\u3044\u307e\u3059\u3002\u6050\u3089\u304f\u521d\u5fc3\u8005\u304c\u300c\u5148\u305a\u3053\u308c\u3089\u306e\u30c4\u30fc\u30eb\u3092\u5168\u90e8\u899a\u3048\u3066\u304f\u3060\u3055\u30fc\u3044\u300d\u3068\u304b\u8a00\u308f\u308c\u305f\u3089\u3001\u3061\u3087\u3063\u3068\u5f15\u304f\u3093\u3058\u3083\u306a\u3044\u3067\u3057\u3087\u3046\u304b\u3002\u3082\u3061\u308d\u3093\u5165\u9580\u66f8\u306b\u3042\u308b\u30b5\u30f3\u30d7\u30eb\u30d7\u30ed\u30b0\u30e9\u30e0\u3092\u52d5\u304b\u3059\u7a0b\u5ea6\u3067\u3042\u308c\u3070\u3001CMake\u306a\u3069\u5168\u304f\u5fc5\u8981\u3042\u308a\u307e\u305b\u3093\u3002\u3057\u304b\u3057\u306a\u304c\u3089\u3001\u7d50\u5c40\u306f\u52c9\u5f37\u3059\u308b\u3053\u3068\u306b\u306a\u308b\u306e\u3067\u306f\u306a\u3044\u304b\u3068\u601d\u3044\u307e\u3059\u3002\u5404\u30c4\u30fc\u30eb\u306b\u95a2\u3057\u3066\u306e\u8a71\u984c\u306f\u4eca\u5f8c\u306e\u30d6\u30ed\u30b0\u306e\u30cd\u30bf\u306b\u51fa\u6765\u308c\u3070\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u3000Linux\u4e0a\u3067\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3059\u308b\u5229\u70b9\u306e\u4e00\u3064\u3068\u3057\u3066\u4e0a\u8a18\u306e\u3088\u3046\u306a\u30c4\u30fc\u30eb\u521d\u3081\u304b\u3089\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3055\u308c\u3066\u3044\u308b\u304b\u3001\u3061\u3087\u3063\u3068\u3057\u305f\u30b3\u30de\u30f3\u30c9\u4e00\u767a\u3067\u7c21\u5358\u306b\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3067\u304d\u3066\u3057\u307e\u3046\u70b9\u306b\u3042\u308a\u307e\u3059\u3002\u79c1\u306f\u666e\u6bb5\u306e\u4ed5\u4e8b\u3067Linux\u3070\u304b\u308a\u5229\u7528\u3057\u307e\u3059\u304c\u3001\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3092\u52c9\u5f37\u3057\u3066\u307f\u305f\u3044\u3068\u3044\u3046\u65b9\u306b\u3082Linux\u306f\u304a\u3059\u3059\u3081\u3067\u3059\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Chemoinformatics\u95a2\u9023\u3067\u3088\u304f\u4f7f\u3046\u30e9\u30a4\u30d6\u30e9\u30ea<\/h2>\n\n\n\n<p>\u3000\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3067\u306f\u5fc5\u305a\u4f55\u304b\u3057\u3089\u306e\u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u5229\u7528\u3057\u307e\u3059\u3002Hello World\u306e\u3088\u3046\u306a\u6975\u3081\u3066\u5358\u7d14\u306a\u30d7\u30ed\u30b0\u30e9\u30e0\u3067\u3082\u6a19\u6e96\u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u4f7f\u7528\u3057\u3066\u3044\u307e\u3059\u3002C\/C++\u3067\u306e\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u304c\u9762\u5012\u306a\u7406\u7531\u306e\u4e00\u3064\u306f\u5fc5\u8981\u306a\u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u63c3\u3048\u308b\u3068\u3053\u308d\u3067\u3059\u3002\u3057\u304b\u3082\u305f\u3060\u63c3\u3063\u3066\u3044\u308c\u3070\u826f\u3044\u308f\u3051\u3067\u306a\u304f\u3001\u30d0\u30fc\u30b8\u30e7\u30f3\u3082\u5fc5\u8981\u3068\u3055\u308c\u308b\u3082\u306e\u3067\u306a\u3051\u308c\u3070\u306a\u308a\u307e\u305b\u3093\u3002\u9762\u5012\u304f\u3055\u3059\u304e\u3067\u3059\u3088\u306d\u3002\u591a\u5206Python\u306e\u4eba\u6c17\u304c\u3042\u308b\u7406\u7531\u3068\u3057\u3066\u3001C\/C++\u3088\u308a\u306f\u30e9\u30a4\u30d6\u30e9\u30ea\u306b\u95a2\u3059\u308b\u9762\u5012\u304f\u3055\u3055\u304c\u8efd\u6e1b\u3055\u308c\u3066\u3044\u308b\u304b\u3089\u304b\u3082\u3057\u308c\u307e\u305b\u3093\u3002<\/p>\n\n\n\n<p>\u3000\u79c1\u304cChemoinformatics\u95a2\u9023\u306eC\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3067\u826f\u304f\u4f7f\u3046\u30e9\u30a4\u30d6\u30e9\u30ea\u306f\u4ee5\u4e0b\u306e\u901a\u308a\u3067\u3059<\/p>\n\n\n\n<table class=\"wp-block-table aligncenter is-style-stripes\"><tbody><tr><td><strong>\u30e9\u30a4\u30d6\u30e9\u30ea\u540d<\/strong><\/td><td><strong>\u8aac\u660e<\/strong><\/td><\/tr><tr><td>Boost<\/td><td>\u4fbf\u5229\u306aC++\u30e9\u30a4\u30d6\u30e9\u30ea\u7fa4<\/td><\/tr><tr><td>RDKit<\/td><td>Chemoinformatics\u7528\u306e\u30c4\u30fc\u30eb\u30ad\u30c3\u30c8<\/td><\/tr><tr><td>OpenBabel<\/td><td>Chemoinformatics\u7528\u306e\u30c4\u30fc\u30eb\u30ad\u30c3\u30c8<\/td><\/tr><tr><td>Eigen<\/td><td>\u7dda\u5f62\u4ee3\u6570\u30e9\u30a4\u30d6\u30e9\u30ea<\/td><\/tr><tr><td>BLAS, LAPACK<\/td><td>\u7dda\u5f62\u4ee3\u6570\u30e9\u30a4\u30d6\u30e9\u30ea<\/td><\/tr><tr><td>FFTW<\/td><td>\u9ad8\u901f\u30d5\u30fc\u30ea\u30a8\u5909\u63db<\/td><\/tr><tr><td>SQLite<\/td><td>\u8efd\u91cf\u30c7\u30fc\u30bf\u30d9\u30fc\u30b9<\/td><\/tr><tr><td>TinyXML2<\/td><td>XML\u30d1\u30fc\u30b5\u30fc<\/td><\/tr><\/tbody><\/table>\n\n\n\n<p>\u3000RDKit\u3068OpenBabel\u306e2\u3064\u306e\u30e9\u30a4\u30d6\u30e9\u30ea\u306f\u6211\u3005\u306b\u3068\u3063\u3066\u5fc5\u9808\u3067\u3059\u3002\u3053\u308c\u3089\u304c\u7121\u3044\u3068\u5168\u304f\u4ed5\u4e8b\u306b\u306a\u308a\u307e\u305b\u3093\u3002\u3069\u3061\u3089\u3082\u540c\u3058\u3088\u3046\u306a\u3053\u3068\u304c\u51fa\u6765\u308b\u30e9\u30a4\u30d6\u30e9\u30ea\u3067\u3059\u304c\u3001\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u3068\u3044\u3046\u89b3\u70b9\u304b\u3089\u3059\u308b\u3068OpenBabel\u306e\u65b9\u304c\u591a\u6a5f\u80fd\u3067API\u3082\u4f7f\u3044\u6613\u3044\u3067\u3059\u3002\u305f\u3060\u3057\u3001\u5927\u304d\u306a\u5f31\u70b9\u304c\u3042\u308a\u307e\u3059\u3002\u305d\u308c\u306f\u30b9\u30ec\u30c3\u30c9\u30bb\u30fc\u30d5\u3067\u306f\u7121\u3044\u3068\u3044\u3046\u70b9\u3067\u3059\u3002\u3053\u308c\u306f\u30de\u30eb\u30c1\u30b9\u30ec\u30c3\u30c9\u5316\u304c\u5f53\u305f\u308a\u524d\u306b\u306a\u3063\u3066\u304d\u3066\u3044\u308b\u73fe\u5728\u3067\u306f\u81f4\u547d\u7684\u3067\u3059\u3002\u4e00\u65b9RDKit\u306f\u30b9\u30ec\u30c3\u30c9\u30bb\u30fc\u30d5\u3067\u3059\u3002\u3057\u304b\u3082\u5206\u5b50\u3092\u6271\u3046\u30af\u30e9\u30b9\u306e\u30b7\u30ea\u30a2\u30e9\u30a4\u30ba\u304c\u6a19\u6e96\u7684\u306b\u51fa\u6765\u308b\u306e\u3067MPI\u3067\u306e\u4e26\u5217\u5316\u3082\u3084\u308a\u3084\u3059\u3044\u6c17\u304c\u3057\u307e\u3059\u3002\u3067\u3082\u3061\u3087\u3063\u3068API\u304c\u4f7f\u3044\u3065\u3089\u3044\u3067\u3059\u3002\u3069\u3061\u3089\u3082\u4e00\u9577\u4e00\u77ed\u3067\u3059\u3088\u306d\u3002<\/p>\n\n\n\n<p>\u3000\u4ed6\u306b\u3082\u8272\u3005\u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u5229\u7528\u3057\u3066\u3044\u307e\u3059\u3002\u7279\u306b\u8a08\u7b97\u5c4b\u3067\u3042\u308c\u3070BLAS\u3084LAPACK\u306e\u3088\u3046\u306a\u7dda\u578b\u4ee3\u6570\u30e9\u30a4\u30d6\u30e9\u30ea\u306f\u57fa\u672c\u4e2d\u306e\u57fa\u672c\u3067\u3059\u3002C++\u3067\u306fLAPACK\u3088\u308a\u3082Eigen\u304c\u4f7f\u3044\u6613\u3044\u306e\u3067\u3001\u73fe\u5728\u306e\u79c1\u306f\u3053\u3061\u3089\u3092\u826f\u304f\u4f7f\u3063\u3066\u3044\u307e\u3059\u3002\u5927\u5909\u30aa\u30b9\u30b9\u30e1\u3067\u3059\u3002\u307e\u3042\u4eca\u5f8c\u3053\u306e\u3088\u3046\u306a\u8a71\u984c\u306b\u3064\u3044\u3066\u3082\u3061\u3087\u304f\u3061\u3087\u304f\u89e6\u308c\u3066\u3044\u3051\u308c\u3070\u3001\u30d6\u30ed\u30b0\u306e\u30cd\u30bf\u5207\u308c\u3092\u56de\u907f\u3067\u304d\u308b\u306e\u3067\u306f\u306a\u3044\u3067\u3057\u3087\u3046\u304b\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u30d6\u30ed\u30b0\u958b\u59cb \u3000\u3053\u3093\u306b\u3061\u306f\u3001\u79c1\u306f\u30a4\u30f3\u30c6\u30fc\u30b8\u30d8\u30eb\u30b9\u30b1\u30a2\u306e\u91d1\u4e95\u3068\u3044\u3044\u307e\u3059\u3002in silico\u5275\u85ac\u306b\u304a\u3051\u308b\u53d7\u8a17\u89e3\u6790\u8a08\u7b97\u306a\u3069\u3092\u4ed5\u4e8b\u306b\u3057\u3066\u3044\u307e\u3059\u3002\u4eca\u56de\u3001\u79c1\u3082\u30d6\u30ed\u30b0\u306a\u308b\u3082\u306e\u3092\u66f8\u304f\u3053\u3068\u306b\u306a\u308a\u307e\u3057\u305f\u3002\u4f55\u5206\u521d\u3081\u3066\u306e\u3053\u3068\u3067\u3001in silico&#8230;<\/p>\n","protected":false},"author":5,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[15],"tags":[86],"class_list":["post-503","post","type-post","status-publish","format-standard","hentry","category-15","tag-c-programming-environment"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v25.3.1 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>in silico \u5275\u85ac\u306e\u305f\u3081\u306eC\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u74b0\u5883 - In Silico \u5275\u85ac<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.insilico.jp\/blog\/2019\/05\/16\/in_silico_drug_discovery_c_programming_environment\/\" \/>\n<meta property=\"og:locale\" content=\"ja_JP\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"in silico \u5275\u85ac\u306e\u305f\u3081\u306eC\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u74b0\u5883 - In Silico \u5275\u85ac\" \/>\n<meta property=\"og:description\" content=\"\u30d6\u30ed\u30b0\u958b\u59cb \u3000\u3053\u3093\u306b\u3061\u306f\u3001\u79c1\u306f\u30a4\u30f3\u30c6\u30fc\u30b8\u30d8\u30eb\u30b9\u30b1\u30a2\u306e\u91d1\u4e95\u3068\u3044\u3044\u307e\u3059\u3002in silico\u5275\u85ac\u306b\u304a\u3051\u308b\u53d7\u8a17\u89e3\u6790\u8a08\u7b97\u306a\u3069\u3092\u4ed5\u4e8b\u306b\u3057\u3066\u3044\u307e\u3059\u3002\u4eca\u56de\u3001\u79c1\u3082\u30d6\u30ed\u30b0\u306a\u308b\u3082\u306e\u3092\u66f8\u304f\u3053\u3068\u306b\u306a\u308a\u307e\u3057\u305f\u3002\u4f55\u5206\u521d\u3081\u3066\u306e\u3053\u3068\u3067\u3001in silico...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.insilico.jp\/blog\/2019\/05\/16\/in_silico_drug_discovery_c_programming_environment\/\" \/>\n<meta property=\"og:site_name\" content=\"In Silico \u5275\u85ac\" \/>\n<meta property=\"article:published_time\" content=\"2019-05-16T05:42:07+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2022-06-29T07:29:05+00:00\" \/>\n<meta name=\"author\" content=\"\u682a\u5f0f\u4f1a\u793e\u30a4\u30f3\u30c6\u30fc\u30b8\u30d8\u30eb\u30b9\u30b1\u30a2 \u91d1\u4e95 \u5343\u91cc\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"\u57f7\u7b46\u8005\" \/>\n\t<meta name=\"twitter:data1\" content=\"\u682a\u5f0f\u4f1a\u793e\u30a4\u30f3\u30c6\u30fc\u30b8\u30d8\u30eb\u30b9\u30b1\u30a2 \u91d1\u4e95 \u5343\u91cc\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.insilico.jp\/blog\/2019\/05\/16\/in_silico_drug_discovery_c_programming_environment\/\",\"url\":\"https:\/\/www.insilico.jp\/blog\/2019\/05\/16\/in_silico_drug_discovery_c_programming_environment\/\",\"name\":\"in silico \u5275\u85ac\u306e\u305f\u3081\u306eC\/C++\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u74b0\u5883 - In Silico 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