ashleve

from pytorch_lightning import LightningDataModule
from torch_geometric.datasets import TUDataset
from torch_geometric.data import DataLoader
from sklearn.model_selection import KFold


class ProteinsKFoldDataModule(LightningDataModule):
    def __init__(
            self,
            data_dir: str = "data/",

ashleve

# Build commands:
# docker build -t project_name . 
# docker run --gpus all -it --rm project_name

# Build from official Nvidia PyTorch image
# GPU-ready with built in Apex mixed-precision support 
# https://ngc.nvidia.com/catalog/containers/nvidia:pytorch
FROM nvcr.io/nvidia/pytorch:21.04-py3

ashleve

Automatic activation of virtual environment and tab completion when entering folder

1. Create a new file called .autoenv (this name is excluded from version control in .gitignore).
   You can use it to automatically execute shell commands when entering folder. Add some commands to your .autoenv file, like in the example below:

   # activate conda environment
   conda activate myenv
   

activate hydra tab completion for bash