Segmentation fault when running generate_ligands.py

[RobinPoelmans]

Hi,

When I try to run generate_ligands.py, I get the following error:

Segmentation fault (core dumped)

I am running on an NVIDIA RTX A4500 GPU, with 20470MiB VRAM, and I created my conda environment in the following way:

conda create -n diffSBDD_env
conda activate diffSBDD_env
conda install cudatoolkit=10.2
conda install pytorch-gpu -c pytorch
conda install -c conda-forge pytorch-lightning
conda install -c conda-forge wandb
conda install -c conda-forge rdkit
conda install -c conda-forge imageio
conda install -c pyg pytorch-scatter
conda install -c conda-forge openbabel
pip install networkx
pip install Bio
pip install torchvision torchaudio

Thanks in advance for helping me solve this issue!

Kind regards,
Robin