Thought Vectors

icon company East China Normal University icon location Shanghai, China icon location [email protected]

Results 3 comments of Thought Vectors

"The 'data' object was created by an older version of PyG. "

https://colab.research.google.com/drive/12L-XYWhcbrIKJEMNPOOkmLDb2DtGgn9t?usp=sharing and this is my colab notebook ↑

Some questions for another paper

Hi! I have same question ,did u solve it yet? I also want to use these model to generate a molecule from binding site's shape

RDKit chirality error causing failure in 144 systems of test set

I solved this problem by modifying the "def write_mol_with_coords" function.