boltz-vsynthes 0.0.14__py3-none-any.whl → 0.0.15__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.
- boltz/data/module/inferencev2.py +7 -1
- {boltz_vsynthes-0.0.14.dist-info → boltz_vsynthes-0.0.15.dist-info}/METADATA +1 -1
- {boltz_vsynthes-0.0.14.dist-info → boltz_vsynthes-0.0.15.dist-info}/RECORD +7 -7
- {boltz_vsynthes-0.0.14.dist-info → boltz_vsynthes-0.0.15.dist-info}/WHEEL +0 -0
- {boltz_vsynthes-0.0.14.dist-info → boltz_vsynthes-0.0.15.dist-info}/entry_points.txt +0 -0
- {boltz_vsynthes-0.0.14.dist-info → boltz_vsynthes-0.0.15.dist-info}/licenses/LICENSE +0 -0
- {boltz_vsynthes-0.0.14.dist-info → boltz_vsynthes-0.0.15.dist-info}/top_level.txt +0 -0
boltz/data/module/inferencev2.py
CHANGED
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@@ -59,9 +59,15 @@ def load_input(
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"""
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# Load the structure
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# if affinity:
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# structure = StructureV2.load(
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# target_dir / record.id / f"pre_affinity_{record.id}.npz"
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# )
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if affinity:
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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 / record.id / f"
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target_dir / record.id / f"{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")
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@@ -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=
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boltz/data/module/inferencev2.py,sha256=y1bN4EchiQ3BsWd6Tz6Ug41I_TItP6WQTc4amBuRN0E,12739
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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
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@@ -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.
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boltz_vsynthes-0.0.
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boltz_vsynthes-0.0.
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boltz_vsynthes-0.0.
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boltz_vsynthes-0.0.
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boltz_vsynthes-0.0.
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boltz_vsynthes-0.0.15.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
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boltz_vsynthes-0.0.15.dist-info/METADATA,sha256=NJSqvHhTsV6-kN89Wa1LdFW8gmXutClh54r_iKsjo94,7235
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boltz_vsynthes-0.0.15.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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boltz_vsynthes-0.0.15.dist-info/entry_points.txt,sha256=nZNYPKKrmAr-MVA0K-ClNRT2p90FV1_14d7HpsESZFQ,211
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boltz_vsynthes-0.0.15.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
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boltz_vsynthes-0.0.15.dist-info/RECORD,,
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File without changes
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File without changes
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File without changes
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File without changes
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