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 diffSBDDenv 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