boltz-vsynthes 1.0.1__py3-none-any.whl → 1.0.2__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (7) hide show
  1. boltz/main.py +5 -1
  2. {boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/METADATA +1 -1
  3. {boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/RECORD +7 -7
  4. {boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/WHEEL +0 -0
  5. {boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/entry_points.txt +0 -0
  6. {boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/licenses/LICENSE +0 -0
  7. {boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/top_level.txt +0 -0
boltz/main.py CHANGED
@@ -665,6 +665,10 @@ def process_inputs(
665
665
  """
666
666
  all_records = []
667
667
 
668
+ # Create processed directory
669
+ processed_dir = out_dir / "processed"
670
+ processed_dir.mkdir(parents=True, exist_ok=True)
671
+
668
672
  # Process each input file in its own directory
669
673
  for input_file in data:
670
674
  # Create a subdirectory for this input file
@@ -740,7 +744,7 @@ def process_inputs(
740
744
 
741
745
  # Create combined manifest
742
746
  manifest = Manifest(all_records)
743
- manifest.dump(out_dir / "processed" / "manifest.json")
747
+ manifest.dump(processed_dir / "manifest.json")
744
748
  return manifest
745
749
 
746
750
 
{boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: boltz-vsynthes
3
- Version: 1.0.1
3
+ Version: 1.0.2
4
4
  Summary: Boltz for V-Synthes
5
5
  Requires-Python: <3.13,>=3.10
6
6
  Description-Content-Type: text/markdown
{boltz_vsynthes-1.0.1.dist-info → boltz_vsynthes-1.0.2.dist-info}/RECORD RENAMED
@@ -1,5 +1,5 @@
1
1
  boltz/__init__.py,sha256=F_-so3S40iZrSZ89Ge4TS6aZqwWyZXq_H4AXGDlbA_g,187
2
- boltz/main.py,sha256=nzakDxdvkrdR3sgvi88wyeRkYHX9Ojhbgt0shGPH23I,40708
2
+ boltz/main.py,sha256=jesu0Y9aBVNPjulshsfyg78HTGNh2K9YjF76rWUWuFs,40833
3
3
  boltz/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
4
4
  boltz/data/const.py,sha256=1M-88Z6HkfKY6MkNtqcj3b9P-oX9xEXluh3qM_u8dNU,26779
5
5
  boltz/data/mol.py,sha256=maOpPHEGX1VVXCIFY6pQNGF7gUBZPAfgSvuPf2QO1yc,34268
@@ -104,9 +104,9 @@ boltz/model/optim/scheduler.py,sha256=nB4jz0CZ4pR4n08LQngExL_pNycIdYI8AXVoHPnZWQ
104
104
  boltz/model/potentials/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
105
105
  boltz/model/potentials/potentials.py,sha256=vev8Vjfs-ML1hyrdv_R8DynG4wSFahJ6nzPWp7CYQqw,17507
106
106
  boltz/model/potentials/schedules.py,sha256=m7XJjfuF9uTX3bR9VisXv1rvzJjxiD8PobXRpcBBu1c,968
107
- boltz_vsynthes-1.0.1.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
108
- boltz_vsynthes-1.0.1.dist-info/METADATA,sha256=c0VEm3L1a5r4NIo1PIWMre-2AFN4AkqCnTmZxPLCri4,7171
109
- boltz_vsynthes-1.0.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
110
- boltz_vsynthes-1.0.1.dist-info/entry_points.txt,sha256=n5a5I35ntu9lmyr16oZgHPFY0b0YxjiixY7m7nbMTLc,41
111
- boltz_vsynthes-1.0.1.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
112
- boltz_vsynthes-1.0.1.dist-info/RECORD,,
107
+ boltz_vsynthes-1.0.2.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
108
+ boltz_vsynthes-1.0.2.dist-info/METADATA,sha256=jjCm6Og0LpIvWLHgHJLnrHNkaGMO4cqZYf73yLKk8rM,7171
109
+ boltz_vsynthes-1.0.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
110
+ boltz_vsynthes-1.0.2.dist-info/entry_points.txt,sha256=n5a5I35ntu9lmyr16oZgHPFY0b0YxjiixY7m7nbMTLc,41
111
+ boltz_vsynthes-1.0.2.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
112
+ boltz_vsynthes-1.0.2.dist-info/RECORD,,