boltz-vsynthes 0.1.0__py3-none-any.whl → 0.1.1__py3-none-any.whl

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Files changed (7) hide show
  1. boltz/main.py +1 -1
  2. {boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/METADATA +4 -4
  3. {boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/RECORD +7 -7
  4. {boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/WHEEL +0 -0
  5. {boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/entry_points.txt +0 -0
  6. {boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/licenses/LICENSE +0 -0
  7. {boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/top_level.txt +0 -0
boltz/main.py CHANGED
@@ -1208,7 +1208,7 @@ def predict( # noqa: C901, PLR0915, PLR0912
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  steering_args = BoltzSteeringParams()
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  steering_args.fk_steering = use_potentials
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  steering_args.guidance_update = use_potentials
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- model_cls = Boltz2 if model == "boltz2" else Boltz1)
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+ model_cls = Boltz2 if model == "boltz2" else Boltz1
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  model_module = model_cls.load_from_checkpoint(
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  checkpoint,
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  strict=True,
{boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.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: 0.1.0
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+ Version: 0.1.1
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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
@@ -28,9 +28,9 @@ Requires-Dist: numba==0.61.0
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  Requires-Dist: gemmi==0.6.5
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  Requires-Dist: scikit-learn==1.6.1
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  Requires-Dist: chembl_structure_pipeline==1.2.2
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- Requires-Dist: cuequivariance_ops_cu12==0.5.0
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- Requires-Dist: cuequivariance_ops_torch_cu12==0.5.0
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- Requires-Dist: cuequivariance_torch==0.5.0
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+ Requires-Dist: cuequivariance_ops_cu12>=0.5.0
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+ Requires-Dist: cuequivariance_ops_torch_cu12>=0.5.0
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+ Requires-Dist: cuequivariance_torch>=0.5.0
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  Provides-Extra: lint
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  Requires-Dist: ruff; extra == "lint"
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  Provides-Extra: test
{boltz_vsynthes-0.1.0.dist-info → boltz_vsynthes-0.1.1.dist-info}/RECORD RENAMED
@@ -1,5 +1,5 @@
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  boltz/__init__.py,sha256=F_-so3S40iZrSZ89Ge4TS6aZqwWyZXq_H4AXGDlbA_g,187
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- boltz/main.py,sha256=BApAG6y3m_V5RuwTtoBL_f2Ud69BVPT3pPSfsG1R718,42706
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+ boltz/main.py,sha256=-gSGboeDMzn34q023E42Pev4lxggg-yfU9CLm-6suZo,42705
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  boltz/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  boltz/data/const.py,sha256=1M-88Z6HkfKY6MkNtqcj3b9P-oX9xEXluh3qM_u8dNU,26779
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  boltz/data/mol.py,sha256=maOpPHEGX1VVXCIFY6pQNGF7gUBZPAfgSvuPf2QO1yc,34268
@@ -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-0.1.0.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
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- boltz_vsynthes-0.1.0.dist-info/METADATA,sha256=KKvZxnnHx3XX6WsLY4WA8lE2bY4OaTZa4RnYSP_rsfs,7234
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- boltz_vsynthes-0.1.0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- boltz_vsynthes-0.1.0.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
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- boltz_vsynthes-0.1.0.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
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- boltz_vsynthes-0.1.0.dist-info/RECORD,,
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+ boltz_vsynthes-0.1.1.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
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+ boltz_vsynthes-0.1.1.dist-info/METADATA,sha256=84nLNxe6WQ1lTeDWsIfqHa5TxOaa5cNuSrzJyny4tVM,7234
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+ boltz_vsynthes-0.1.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ boltz_vsynthes-0.1.1.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
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+ boltz_vsynthes-0.1.1.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
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+ boltz_vsynthes-0.1.1.dist-info/RECORD,,