discrepancy between atom positions

NSAPH-Projects / topological-equivariant-networks

E(n)-Equivariant Topological Neural Networks

MIT License

24 stars 1 forks source link

Open ekarais opened 7 months ago

ekarais commented 7 months ago

The atom positions in PyGs QM9 dataset are slightly different than those in the QM9 dataset used in the EGNN repository.

PyGs QM9 dataset is downloaded from MoleculeNet, which is a benchmark for molecular learning problems.
EGNN's QM9 is downloaded from this figshare link.