Tony Shen

TypeError: metaclass conflict: the metaclass of a derived class must be a (non-strict) subclass of the metaclasses of all its bases

3

Version: ``` torch==1.13.0 torch-geometric==2.3.0 torchdrug==0.2.0 ``` Code: ``` import torch_geometric ``` Output: ``` --------------------------------------------------------------------------- --------------------------------------------------------------------------- TypeError Traceback (most recent call last) Cell In[7], line 1 ----> 1 import torch_geometric File...

Longer than expected running time for Binding Pose Prediction

3

In the Uni-Mol paper, the average number of seconds per ligand is 0.2. > Efficiency benchmark We compare Uni-Mol binding pose prediction with popular docking tools in efficiency. The baseline...

Thank you for this great library. In the tutorial notebook, for computing PB of trajectory, we only consider timestep range [trajectory_length, 2). Why do we stop at time step 2?...