1.安装miniconda
# 首先安装conda,安装后才能使用
!wget -c https://repo.continuum.io/miniconda/Miniconda3-py37_4.8.3-Linux-x86_64.sh
!chmod +x Miniconda3-py37_4.8.3-Linux-x86_64.sh
!time bash ./Miniconda3-py37_4.8.3-Linux-x86_64.sh -b -f -p /usr/local
!time conda install -q -y -c conda-forge rdkit
# 指向conda路径
import sys
sys.path.append('/usr/local/lib/python3.7/site-packages/')
2.创建虚拟环境DL,激活环境,在环境下安装包
!conda create -n DL python=3.7
!activate DL
!conda install -c pytorch-lts pytorch
3.拖拽文件至colab,进行解压(路径可复制)
!unzip "/content/drive/MyDrive/Colab Notebooks/你的.zip" -d "/content/drive/MyDrive/Colab Notebooks/"
4.修改笔记本设置GPU,查看GPU型号
gpu_info = !nvidia-smi
gpu_info = '\n'.join(gpu_info)
if gpu_info.find('failed') >= 0:
print('Not connected to a GPU')
else:
print(gpu_info)
5.转至需要处理的文件目录下
import os
os.chdir('/content/drive/MyDrive/Colab Notebooks/Tempo-main/Tempo-main/')
os.listdir('/content/drive/MyDrive/Colab Notebooks/Tempo-main/Tempo-main/')
!python training.py