This repository contains all the experimentation stuff, we have been working on for the OGB-LSC challenge (HOMO-LUMO gap prediction task).
Local venv
- create and activate venv
python3 -m venv .venv
source .venv/bin/activate
pip install -U pip
- install dependencies
- CPU
pip install -r requirements.txt -r requirements-cpu.txt
- GPU
pip install -r requirements.txt -r requirements-gpu.txt
Docker TODO
DVC stuff
- tell DVC where how to authenticate to Google Cloud Storage (only on private machine; on the VM it should work out-of-the-box)
export GOOGLE_CLOUD_PROJECT="ogb-team"
export GOOGLE_APPLICATION_CREDENTIALS=~/.config/gcloud/legacy_credentials/<your email address>/adc.json
- pull all files from the MinIO remote (
dvc pull
)