0.0.52

Author: lucidrains

alphafold3_pytorch/alphafold3.py

@@ -73,10 +73,6 @@
 
 ADDITIONAL_RESIDUE_FEATS = 10
 
-# threshold for checking that point cross-correlation
-# is full-rank in `WeightedRigidAlign`
-AMBIGUOUS_ROT_SINGULAR_THR = 1e-15
-
 LinearNoBias = partial(Linear, bias = False)
 
 # helper functions
@@ -2246,7 +2242,7 @@ def forward(
         U, S, V = torch.svd(cov_matrix)
 
         # Catch ambiguous rotation by checking the magnitude of singular values
-        if (S.abs() <= AMBIGUOUS_ROT_SINGULAR_THR).any() and not (num_points < (dim + 1)):
+        if (S.abs() <= 1e-15).any() and not (num_points < (dim + 1)):
             print(
                 "Warning: Excessively low rank of "
                 + "cross-correlation between aligned point clouds. "

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "alphafold3-pytorch"
-version = "0.0.51"
+version = "0.0.52"
 description = "Alphafold 3 - Pytorch"
 authors = [
     { name = "Phil Wang", email = "[email protected]" }