Skip to content

Global ViSNet for OGB-LSC on PCQM4Mv2 track

License

Notifications You must be signed in to change notification settings

CValse/Global-ViSNet

 
 

Repository files navigation

Global-ViSNet

This repository is the official implementation of Global-ViSNet, based on the official implementation of Transformer-M.

Installation

  • Clone this repository
git clone https://github.com/ogb-visnet/Global-ViSNet.git
  • Install the dependencies (Using Anaconda, tested with CUDA version 11.0)
cd ./Global-ViSNet
conda env create -f requirement.yaml
conda activate Global-ViSNet
pip install torch==1.7.1+cu110 torchvision==0.8.2+cu110 torchaudio==0.7.2 -f https://download.pytorch.org/whl/torch_stable.html
pip install torch_geometric==1.6.3 torch_scatter==2.0.7 torch_sparse==0.6.9 -f https://data.pyg.org/whl/torch-1.7.1+cu110.html
pip install azureml-defaults
pip install rdkit-pypi cython
python setup.py build_ext --inplace
python setup_cython.py build_ext --inplace
pip install -e .
pip install --upgrade protobuf==3.20.1
pip install --upgrade tensorboard==2.9.1
pip install --upgrade tensorboardX==2.5.1

About

Global ViSNet for OGB-LSC on PCQM4Mv2 track

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • Python 97.3%
  • Cuda 1.1%
  • Other 1.6%