boltz-vsynthes 0.0.17__py3-none-any.whl → 0.0.18__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/model/models/boltz2.py +1 -1
  2. {boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/METADATA +1 -1
  3. {boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/RECORD +7 -7
  4. {boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/WHEEL +0 -0
  5. {boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/entry_points.txt +0 -0
  6. {boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/licenses/LICENSE +0 -0
  7. {boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/top_level.txt +0 -0
boltz/model/models/boltz2.py CHANGED
@@ -63,7 +63,7 @@ class Boltz2(LightningModule):
63
63
  num_val_datasets: int = 1,
64
64
  atom_feature_dim: int = 128,
65
65
  template_args: Optional[dict] = None,
66
- confidence_prediction: bool = True,
66
+ confidence_prediction: bool = False,
67
67
  affinity_prediction: bool = False,
68
68
  affinity_ensemble: bool = False,
69
69
  affinity_mw_correction: bool = True,
{boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: boltz-vsynthes
3
- Version: 0.0.17
3
+ Version: 0.0.18
4
4
  Summary: Boltz for VSYNTHES
5
5
  Requires-Python: <3.13,>=3.10
6
6
  Description-Content-Type: text/markdown
{boltz_vsynthes-0.0.17.dist-info → boltz_vsynthes-0.0.18.dist-info}/RECORD RENAMED
@@ -85,7 +85,7 @@ boltz/model/loss/distogramv2.py,sha256=dFgMGwpdLK4-skHJwvpERG10KfF3ZUN1T9_hUj-iW
85
85
  boltz/model/loss/validation.py,sha256=gYpbag9mulg5HJPXjOUFaMV9XSYX_s2bIQ0iYjiAow0,33501
86
86
  boltz/model/models/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
87
87
  boltz/model/models/boltz1.py,sha256=x-x0b3VAXiAkPUBePnF56k1aYEPNgX1M6GtNCYVdCso,51718
88
- boltz/model/models/boltz2.py,sha256=3XOWjUWaSJquw8Xdp7JItDUnVDyoC0qtx3q4MFQrd38,51523
88
+ boltz/model/models/boltz2.py,sha256=3Kr5xGLiUSRzJOeLjvGz4HOOe9r7YtpqV7DvvBlV-1M,51524
89
89
  boltz/model/modules/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
90
90
  boltz/model/modules/affinity.py,sha256=FktI2wrkDqsjGHJOuvzVrZK78MOPjU65QN0l6sB1QPQ,7041
91
91
  boltz/model/modules/confidence.py,sha256=sXGymZiiMtfXPkUvHpa2KCCvNY79D8jXXEx9Gz2rNFs,17475
@@ -110,9 +110,9 @@ boltz/model/potentials/schedules.py,sha256=m7XJjfuF9uTX3bR9VisXv1rvzJjxiD8PobXRp
110
110
  boltz/utils/sdf_splitter.py,sha256=ZHn_syOcmm-fDnJ3YEGyGv_vYz2IRzUW7vbbMSU2JBY,2108
111
111
  boltz/utils/sdf_to_pre_affinity_npz.py,sha256=ro0KGe24JexbJm47J8S8w8Lmr_KaQbzOAb_dKZO2G9I,40384
112
112
  boltz/utils/yaml_generator.py,sha256=ermWIG-BE6nNWHFvpEwpk92N9J-YATpGXZGLvD1I2oQ,4012
113
- boltz_vsynthes-0.0.17.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
114
- boltz_vsynthes-0.0.17.dist-info/METADATA,sha256=C3WBB1KJrsEeeiuDnk78uhHAdFRMp8ApLNnOS8uLx1c,7235
115
- boltz_vsynthes-0.0.17.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
116
- boltz_vsynthes-0.0.17.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
117
- boltz_vsynthes-0.0.17.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
118
- boltz_vsynthes-0.0.17.dist-info/RECORD,,
113
+ boltz_vsynthes-0.0.18.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
114
+ boltz_vsynthes-0.0.18.dist-info/METADATA,sha256=49nWUDVzQgb70321Ydf1wppytsfr1zkEUAEszIjg4-A,7235
115
+ boltz_vsynthes-0.0.18.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
116
+ boltz_vsynthes-0.0.18.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
117
+ boltz_vsynthes-0.0.18.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
118
+ boltz_vsynthes-0.0.18.dist-info/RECORD,,