From 07de8ab9eaa8accc84b2592ff136f0c238a204d9 Mon Sep 17 00:00:00 2001 From: lucidrains Date: Sun, 29 Sep 2024 15:00:21 -0700 Subject: [PATCH] quick fix --- alphafold3_pytorch/alphafold3.py | 1 + pyproject.toml | 2 +- 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/alphafold3_pytorch/alphafold3.py b/alphafold3_pytorch/alphafold3.py index ec83abaa..077181d4 100644 --- a/alphafold3_pytorch/alphafold3.py +++ b/alphafold3_pytorch/alphafold3.py @@ -5705,6 +5705,7 @@ def calc_atom_access_surface_score( # atom_rel_pos = einx.get_at('i [m] c, i j -> i j c', atom_rel_pos, include_indices) + include_in_free_calc = include_in_free_calc.bool() atom_rel_pos = atom_rel_pos.gather(1, repeat(include_indices, 'i j -> i j c', c = 3)) target_atom_radii_sq = atom_radii_sq[include_indices] diff --git a/pyproject.toml b/pyproject.toml index 71d275aa..42782d86 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "alphafold3-pytorch" -version = "0.5.53" +version = "0.5.54" description = "Alphafold 3 - Pytorch" authors = [ { name = "Phil Wang", email = "lucidrains@gmail.com" },