Jun Wang

always get error: connect ECONNREFUSED 13.250.168.23:443 is there any solution about this?

when use batch version matrix function，return answer is wrong In [147]: rotvec = torch.randn(20,3) In [148]: rots = SO3.InitFromVec(rotvec) In [149]: rots.shape Out[149]: torch.Size([20]) In [150]: rots.vec()[-5] Out[150]: tensor([ 0.8872,...

Atom at the origin cause incorrect res_atom_elements results

1

Hello lucidrain, firstly thank you very much for the pytorch reproduction of alphafold3. In file `inputs.py` function `extract_canonical_molecules_from_biomolecule_chains` in some cif_file, certain key ion coordinates are set to the origin,...

as descripted: I generated 20 ligands by the example "5ndu", there are almost half of failure answers like these