qq_21521561的博客

可以尝试在cpu上进行运算，在上传到gpu。这类运算似乎在gpu上特别的慢

ROCR_VISIBLE_DEVICESIt is possible to rearrange or isolate the collection of ROCm GPU/GCD devices that are available on a ROCm platform. This can be achieved at the start of an application by way of ...

from rdkit.Chem import rdChemReactionsfrom rdkit.Chem.rdChemReactions import RemoveMappingNumbersFromReactionsreaction = rdChemReactions.ReactionFromSmarts('[Br:1][c:2]1[cH:3][c:4]([C:11](=[O:12])...

导入IPythonConsole即可，不需要额外操作。from rdkit.Chem.Draw import IPythonConsole

1. 在C:\Users\All Users 路径下创建文件夹 pip2. 勾选显示文件拓展名3. 在pip文件夹中创建pip.txt，写入以下脚本[global]index-url = https://pypi.tuna.tsinghua.edu.cn/simple4. 更改pip.txt文件名称为pip.ini...

#定义数据集规模 size = 600 #生成数据集 dataA = np.random.normal((0,38),0.4,(size,2)) dataA_label = np.zeros(size) dataB = np.random.normal((0,36),0.4,(size,2)) dataB_label = np.ones(s...

list1 = [] #定义一个空列表str1 = input("请输入数值，用空格隔开：")list2 = str1.split(" ") #list2用来存储输入的字符串，用空格分割list2_length = len(list2)i = 0while i <= list2_length-1: list1.append(int(list2.pop())) #将list...