如果性能是重要的，下降到numpy级别:

import numpy as np

df = pd.DataFrame({'a': np.random.randint(0, 60, 600), 'b': [1, 2, 5, 5, 4, 6]*100})

def f(df):
         keys, values = df.sort_values('a').values.T
         ukeys, index = np.unique(keys, True)
         arrays = np.split(values, index[1:])
         df2 = pd.DataFrame({'a':ukeys, 'b':[list(a) for a in arrays]})
         return df2

测试:

In [301]: %timeit f(df)
1000 loops, best of 3: 1.64 ms per loop

In [302]: %timeit df.groupby('a')['b'].apply(list)
100 loops, best of 3: 5.26 ms per loop

根据@EdChum对他的回答的评论来回答。评论是这样的

groupby is notoriously slow and memory hungry, what you could do is sort by column A, then find the idxmin and idxmax (probably store this in a dict) and use this to slice your dataframe would be faster I think 

让我们首先创建一个数据框架，第一列中有500k个类别，总df形状为2000万。

df = pd.DataFrame(columns=['a', 'b'])
df['a'] = (np.random.randint(low=0, high=500000, size=(20000000,))).astype(str)
df['b'] = list(range(20000000))
print(df.shape)
df.head()

# Sort data by first column 
df.sort_values(by=['a'], ascending=True, inplace=True)
df.reset_index(drop=True, inplace=True)

# Create a temp column
df['temp_idx'] = list(range(df.shape[0]))

# Take all values of b in a separate list
all_values_b = list(df.b.values)
print(len(all_values_b))

# For each category in column a, find min and max indexes
gp_df = df.groupby(['a']).agg({'temp_idx': [np.min, np.max]})
gp_df.reset_index(inplace=True)
gp_df.columns = ['a', 'temp_idx_min', 'temp_idx_max']

# Now create final list_b column, using min and max indexes for each category of a and filtering list of b. 
gp_df['list_b'] = gp_df[['temp_idx_min', 'temp_idx_max']].apply(lambda x: all_values_b[x[0]:x[1]+1], axis=1)

print(gp_df.shape)
gp_df.head()

上面的代码花费2分钟处理第一列中的2000万行和500k个类别。

实现这一目标的简便方法是:

df.groupby('a').agg({'b':lambda x: list(x)})

考虑编写自定义聚合:https://www.kaggle.com/akshaysehgal/how-to-group-by-aggregate-using-py

如果性能是重要的，下降到numpy级别:

import numpy as np

df = pd.DataFrame({'a': np.random.randint(0, 60, 600), 'b': [1, 2, 5, 5, 4, 6]*100})

def f(df):
         keys, values = df.sort_values('a').values.T
         ukeys, index = np.unique(keys, True)
         arrays = np.split(values, index[1:])
         df2 = pd.DataFrame({'a':ukeys, 'b':[list(a) for a in arrays]})
         return df2

测试:

In [301]: %timeit f(df)
1000 loops, best of 3: 1.64 ms per loop

In [302]: %timeit df.groupby('a')['b'].apply(list)
100 loops, best of 3: 5.26 ms per loop

你可以使用groupby对感兴趣的列进行分组，然后将list应用到每个组:

In [1]: df = pd.DataFrame( {'a':['A','A','B','B','B','C'], 'b':[1,2,5,5,4,6]})
        df

Out[1]: 
   a  b
0  A  1
1  A  2
2  B  5
3  B  5
4  B  4
5  C  6

In [2]: df.groupby('a')['b'].apply(list)
Out[2]: 
a
A       [1, 2]
B    [5, 5, 4]
C          [6]
Name: b, dtype: object

In [3]: df1 = df.groupby('a')['b'].apply(list).reset_index(name='new')
        df1
Out[3]: 
   a        new
0  A     [1, 2]
1  B  [5, 5, 4]
2  C        [6]

使用以下任何一种分组和agg食谱。

# Setup
df = pd.DataFrame({
  'a': ['A', 'A', 'B', 'B', 'B', 'C'],
  'b': [1, 2, 5, 5, 4, 6],
  'c': ['x', 'y', 'z', 'x', 'y', 'z']
})
df

   a  b  c
0  A  1  x
1  A  2  y
2  B  5  z
3  B  5  x
4  B  4  y
5  C  6  z

要将多个列聚合为列表，请使用以下任何一种方法:

df.groupby('a').agg(list)
df.groupby('a').agg(pd.Series.tolist)

           b          c
a                      
A     [1, 2]     [x, y]
B  [5, 5, 4]  [z, x, y]
C        [6]        [z]

若要只对单个列进行组列化，请将groupby转换为SeriesGroupBy对象，然后调用SeriesGroupBy.agg。使用,

df.groupby('a').agg({'b': list})  # 4.42 ms 
df.groupby('a')['b'].agg(list)    # 2.76 ms - faster

a
A       [1, 2]
B    [5, 5, 4]
C          [6]
Name: b, dtype: object