boltz-vsynthes 0.0.16__py3-none-any.whl → 0.0.18__py3-none-any.whl

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Files changed (8) hide show
  1. boltz/data/module/inferencev2.py +1 -1
  2. boltz/model/models/boltz2.py +1 -1
  3. {boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/METADATA +1 -1
  4. {boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/RECORD +8 -8
  5. {boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/WHEEL +0 -0
  6. {boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/entry_points.txt +0 -0
  7. {boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/licenses/LICENSE +0 -0
  8. {boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/top_level.txt +0 -0
boltz/data/module/inferencev2.py CHANGED
@@ -67,7 +67,7 @@ def load_input(
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  if target_dir.name == "predictions":
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  target_dir = target_dir.parent / "processed"
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  structure = StructureV2.load(
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- target_dir / f"structure/{record.id}.npz"
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+ target_dir / f"structures/{record.id}.npz"
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  )
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  else:
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  structure = StructureV2.load(target_dir / f"{record.id}.npz")
boltz/model/models/boltz2.py CHANGED
@@ -63,7 +63,7 @@ class Boltz2(LightningModule):
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  num_val_datasets: int = 1,
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  atom_feature_dim: int = 128,
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  template_args: Optional[dict] = None,
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- confidence_prediction: bool = True,
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+ confidence_prediction: bool = False,
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  affinity_prediction: bool = False,
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  affinity_ensemble: bool = False,
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  affinity_mw_correction: bool = True,
{boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: boltz-vsynthes
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- Version: 0.0.16
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+ Version: 0.0.18
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  Summary: Boltz for VSYNTHES
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  Requires-Python: <3.13,>=3.10
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  Description-Content-Type: text/markdown
{boltz_vsynthes-0.0.16.dist-info → boltz_vsynthes-0.0.18.dist-info}/RECORD RENAMED
@@ -27,7 +27,7 @@ boltz/data/filter/static/ligand.py,sha256=LamC-Z9IjYj3DmfxwMFmPbKBBhRMby3uWQj74w
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  boltz/data/filter/static/polymer.py,sha256=LNsQMsOOnhYpeKuM9AStktoTQPMZE3H0yu4mRg-jwPc,9386
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  boltz/data/module/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  boltz/data/module/inference.py,sha256=xk8ZJ8UhjPiPTdOluH_v4gnV8GtTX3sr1WZ1s5Ox8I8,8100
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- boltz/data/module/inferencev2.py,sha256=R7U8tBE9F1-7_yuGltZnm8QvDATF7cnwoSlV2ukzjt4,12737
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+ boltz/data/module/inferencev2.py,sha256=QmtvyUuHkY2f1ulE2xkIjo87xRIuOj3Yddo6_mbILYg,12738
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  boltz/data/module/training.py,sha256=iNzmq9ufs20S4M947CCzdYzGTFjmCTf2tFExJ2PtXnA,22428
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  boltz/data/module/trainingv2.py,sha256=ZsYUHYXxfuPgIpbTwCj5QLO0XK__xjsqIw6GARSNGW0,21276
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  boltz/data/msa/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -85,7 +85,7 @@ boltz/model/loss/distogramv2.py,sha256=dFgMGwpdLK4-skHJwvpERG10KfF3ZUN1T9_hUj-iW
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  boltz/model/loss/validation.py,sha256=gYpbag9mulg5HJPXjOUFaMV9XSYX_s2bIQ0iYjiAow0,33501
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  boltz/model/models/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  boltz/model/models/boltz1.py,sha256=x-x0b3VAXiAkPUBePnF56k1aYEPNgX1M6GtNCYVdCso,51718
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- boltz/model/models/boltz2.py,sha256=3XOWjUWaSJquw8Xdp7JItDUnVDyoC0qtx3q4MFQrd38,51523
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+ boltz/model/models/boltz2.py,sha256=3Kr5xGLiUSRzJOeLjvGz4HOOe9r7YtpqV7DvvBlV-1M,51524
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  boltz/model/modules/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  boltz/model/modules/affinity.py,sha256=FktI2wrkDqsjGHJOuvzVrZK78MOPjU65QN0l6sB1QPQ,7041
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  boltz/model/modules/confidence.py,sha256=sXGymZiiMtfXPkUvHpa2KCCvNY79D8jXXEx9Gz2rNFs,17475
@@ -110,9 +110,9 @@ boltz/model/potentials/schedules.py,sha256=m7XJjfuF9uTX3bR9VisXv1rvzJjxiD8PobXRp
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  boltz/utils/sdf_splitter.py,sha256=ZHn_syOcmm-fDnJ3YEGyGv_vYz2IRzUW7vbbMSU2JBY,2108
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  boltz/utils/sdf_to_pre_affinity_npz.py,sha256=ro0KGe24JexbJm47J8S8w8Lmr_KaQbzOAb_dKZO2G9I,40384
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  boltz/utils/yaml_generator.py,sha256=ermWIG-BE6nNWHFvpEwpk92N9J-YATpGXZGLvD1I2oQ,4012
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- boltz_vsynthes-0.0.16.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
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- boltz_vsynthes-0.0.16.dist-info/METADATA,sha256=IAOkIuvhRv6oNzI1lFxH-CeM6oCn7wExBWEx764GHlY,7235
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- boltz_vsynthes-0.0.16.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- boltz_vsynthes-0.0.16.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
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- boltz_vsynthes-0.0.16.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
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- boltz_vsynthes-0.0.16.dist-info/RECORD,,
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+ boltz_vsynthes-0.0.18.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
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+ boltz_vsynthes-0.0.18.dist-info/METADATA,sha256=49nWUDVzQgb70321Ydf1wppytsfr1zkEUAEszIjg4-A,7235
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+ boltz_vsynthes-0.0.18.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ boltz_vsynthes-0.0.18.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
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+ boltz_vsynthes-0.0.18.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
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+ boltz_vsynthes-0.0.18.dist-info/RECORD,,