barbodnaj/DeepPocketImplement

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DeepPocket Implementation

Description

Because of the lack of data in the journal this implementation is in pause

Installation

Pip

# clone project
git clone https://github.com/YourGithubName/your-repo-name
cd your-repo-name

# [OPTIONAL] create conda environment
conda create -n myenv python=3.9
conda activate myenv

# install pytorch according to instructions
# https://pytorch.org/get-started/

# install requirements
pip install -r requirements.txt

Conda

# clone project
git clone https://github.com/YourGithubName/your-repo-name
cd your-repo-name

# create conda environment and install dependencies
conda env create -f environment.yaml -n myenv

# activate conda environment
conda activate myenv

How to run

Train model with default configuration

# train on CPU
python src/train.py trainer=cpu

# train on GPU
python src/train.py trainer=gpu

Train model with chosen experiment configuration from configs/experiment/

python src/train.py experiment=experiment_name.yaml

You can override any parameter from command line like this

python src/train.py trainer.max_epochs=20 data.batch_size=64