Closed amorehead closed 7 months ago
Hello! I noticed that the line linked below contains identical conditions inside this if statement. I wanted to check if this will affect any of the behavior for your calculation of property norms (e.g., with certain dataset configurations).
if
https://github.com/ehoogeboom/e3_diffusion_for_molecules/blob/fce07d701a2d2340f3522df588832c2c0f7e044a/qm9/utils.py#L7
Hello! I noticed that the line linked below contains identical conditions inside this
ifstatement. I wanted to check if this will affect any of the behavior for your calculation of property norms (e.g., with certain dataset configurations).https://github.com/ehoogeboom/e3_diffusion_for_molecules/blob/fce07d701a2d2340f3522df588832c2c0f7e044a/qm9/utils.py#L7