基于@B。M的答案，这里是一个更通用的版本，并更新为与更新的库版本一起工作:(numpy版本1.19.2,pandas版本1.2.1) 这个解决方案也可以处理多指标:

然而，这并没有经过严格的测试，请谨慎使用。

如果性能是重要的，下降到numpy级别:

import pandas as pd
import numpy as np

np.random.seed(0)
df = pd.DataFrame({'a': np.random.randint(0, 10, 90), 'b': [1,2,3]*30, 'c':list('abcefghij')*10, 'd': list('hij')*30})


def f_multi(df,col_names):
    if not isinstance(col_names,list):
        col_names = [col_names]
        
    values = df.sort_values(col_names).values.T

    col_idcs = [df.columns.get_loc(cn) for cn in col_names]
    other_col_names = [name for idx, name in enumerate(df.columns) if idx not in col_idcs]
    other_col_idcs = [df.columns.get_loc(cn) for cn in other_col_names]

    # split df into indexing colums(=keys) and data colums(=vals)
    keys = values[col_idcs,:]
    vals = values[other_col_idcs,:]
    
    # list of tuple of key pairs
    multikeys = list(zip(*keys))
    
    # remember unique key pairs and ther indices
    ukeys, index = np.unique(multikeys, return_index=True, axis=0)
    
    # split data columns according to those indices
    arrays = np.split(vals, index[1:], axis=1)

    # resulting list of subarrays has same number of subarrays as unique key pairs
    # each subarray has the following shape:
    #    rows = number of non-grouped data columns
    #    cols = number of data points grouped into that unique key pair
    
    # prepare multi index
    idx = pd.MultiIndex.from_arrays(ukeys.T, names=col_names) 

    list_agg_vals = dict()
    for tup in zip(*arrays, other_col_names):
        col_vals = tup[:-1] # first entries are the subarrays from above 
        col_name = tup[-1]  # last entry is data-column name
        
        list_agg_vals[col_name] = col_vals

    df2 = pd.DataFrame(data=list_agg_vals, index=idx)
    return df2

测试:

In [227]: %timeit f_multi(df, ['a','d'])

2.54 ms ± 64.7 µs per loop (mean ± std. dev. of 7 runs, 100 loops each)

In [228]: %timeit df.groupby(['a','d']).agg(list)

4.56 ms ± 61.5 µs per loop (mean ± std. dev. of 7 runs, 100 loops each)

结果:

对于随机种子0，将得到:

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]

我发现的实现同样的事情的最简单的方法(至少对于一列)与Anamika的答案类似，只是使用了聚合函数的tuple语法。

df.groupby('a').agg(b=('b','unique'), c=('c','unique'))

如果在分组多个列时寻找一个唯一的列表，这可能会有所帮助:

df.groupby('a').agg(lambda x: list(set(x))).reset_index()

排序耗时O(nlog(n))，是上述方案中耗时最多的操作

对于简单的解决方案(含单列)pd.Series。除非考虑其他框架，否则To_list可以工作并且可以被认为更有效

e.g.

import pandas as pd
from string import ascii_lowercase
import random

def generate_string(case=4):
    return ''.join([random.choice(ascii_lowercase) for _ in range(case)])

df = pd.DataFrame({'num_val':[random.randint(0,100) for _ in range(20000000)],'string_val':[generate_string() for _ in range(20000000)]})


%timeit df.groupby('string_val').agg({'num_val':pd.Series.to_list})

对于2000万条记录，大约需要17.2秒。相比之下，apply(list)大约需要19.2秒，lambda函数大约需要20.6秒