Error with using Inpaint.py

[mljchen102]

Hi. I'm trying to run the Inpaint file to create new molecules from a substructure. I am getting the following errors however. Is there a way to fix it?

Traceback (most recent call last):
File "/home/michael/DiffSBDD/inpaint.py", line 215, in
model = LigandPocketDDPM.load_from_checkpoint(
File "/home/michael/anaconda3/envs/sbdd-env/lib/python3.10/site-packages/pytorch_lightning/utilities/model_helpers.py", line 125, in wrapper
return self.method(cls, *args, **kwargs)
File "/home/michael/anaconda3/envs/sbdd-env/lib/python3.10/site-packages/pytorch_lightning/core/module.py", line 1581, in load_from_checkpoint
loaded = _load_from_checkpoint(
File "/home/michael/anaconda3/envs/sbdd-env/lib/python3.10/site-packages/pytorch_lightning/core/saving.py", line 91, in _load_from_checkpoint
model = _load_state(cls, checkpoint, strict=strict, kwargs)
File "/home/michael/anaconda3/envs/sbdd-env/lib/python3.10/site-packages/pytorch_lightning/core/saving.py", line 165, in _load_state
obj = instantiator(cls, _cls_kwargs) if instantiator else cls(_cls_kwargs)
File "/home/michael/DiffSBDD/lightning_modules.py", line 161, in init
self.ddpm = ddpm_models[self.mode](
File "/home/michael/DiffSBDD/equivariant_diffusion/conditional_model.py", line 17, in init
super().init(*args, **kwargs)
File "/home/michael/DiffSBDD/equivariant_diffusion/en_diffusion.py", line 40, in init
self.gamma = PredefinedNoiseSchedule(noise_schedule,
File "/home/michael/DiffSBDD/equivariant_diffusion/en_diffusion.py", line 1185, in init
torch.from_numpy(-log_alphas2_to_sigmas2).float(),
TypeError: expected np.ndarray (got numpy.ndarray)