dtaudit 0.0.1__tar.gz

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Files changed (9) hide show
  1. dtaudit-0.0.1/PKG-INFO +28 -0
  2. dtaudit-0.0.1/README.md +14 -0
  3. dtaudit-0.0.1/pyproject.toml +22 -0
  4. dtaudit-0.0.1/setup.cfg +4 -0
  5. dtaudit-0.0.1/src/dtaudit/__init__.py +6 -0
  6. dtaudit-0.0.1/src/dtaudit.egg-info/PKG-INFO +28 -0
  7. dtaudit-0.0.1/src/dtaudit.egg-info/SOURCES.txt +7 -0
  8. dtaudit-0.0.1/src/dtaudit.egg-info/dependency_links.txt +1 -0
  9. dtaudit-0.0.1/src/dtaudit.egg-info/top_level.txt +1 -0
dtaudit-0.0.1/PKG-INFO ADDED
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+ Metadata-Version: 2.4
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+ Name: dtaudit
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+ Version: 0.0.1
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+ Summary: Diagnostic audits for drug-target affinity (DTA) benchmarks (name reserved; first release forthcoming)
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+ Author-email: danielLuo2 <31luoxudong@gmail.com>
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+ License-Expression: MIT
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+ Keywords: drug-target affinity,DTA,benchmark,evaluation,bioinformatics
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+ Classifier: Development Status :: 1 - Planning
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+ Classifier: Intended Audience :: Science/Research
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+ Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
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+ Classifier: Programming Language :: Python :: 3
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+ Requires-Python: >=3.9
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+ Description-Content-Type: text/markdown
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+
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+ # dtaudit
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+
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+ Diagnostic audits for drug-target affinity (DTA) benchmarks.
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+
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+ `dtaudit` takes a table of test-set predictions (drug, target, label,
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+ prediction) and reports what pooled MSE and concordance index hide: how a model
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+ compares with trivial drug / target main-effect baselines, whether it captures
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+ drug-target interactions beyond those main effects, whether its predictions
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+ have collapsed toward a constant, and how censored affinity labels affect the
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+ evaluation.
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+
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+ **This release only reserves the package name and contains no functionality.**
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+ The first functional release is in preparation; please do not depend on this
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+ version.
dtaudit-0.0.1/README.md ADDED
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+ # dtaudit
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+
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+ Diagnostic audits for drug-target affinity (DTA) benchmarks.
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+
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+ `dtaudit` takes a table of test-set predictions (drug, target, label,
6
+ prediction) and reports what pooled MSE and concordance index hide: how a model
7
+ compares with trivial drug / target main-effect baselines, whether it captures
8
+ drug-target interactions beyond those main effects, whether its predictions
9
+ have collapsed toward a constant, and how censored affinity labels affect the
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+ evaluation.
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+
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+ **This release only reserves the package name and contains no functionality.**
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+ The first functional release is in preparation; please do not depend on this
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+ version.
dtaudit-0.0.1/pyproject.toml ADDED
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+ [build-system]
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+ requires = ["setuptools>=77"]
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+ build-backend = "setuptools.build_meta"
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+
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+ [project]
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+ name = "dtaudit"
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+ version = "0.0.1"
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+ description = "Diagnostic audits for drug-target affinity (DTA) benchmarks (name reserved; first release forthcoming)"
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+ readme = "README.md"
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+ requires-python = ">=3.9"
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+ license = "MIT"
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+ authors = [{ name = "danielLuo2", email = "31luoxudong@gmail.com" }]
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+ keywords = ["drug-target affinity", "DTA", "benchmark", "evaluation", "bioinformatics"]
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+ classifiers = [
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+ "Development Status :: 1 - Planning",
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+ "Intended Audience :: Science/Research",
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+ "Topic :: Scientific/Engineering :: Bio-Informatics",
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+ "Programming Language :: Python :: 3",
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+ ]
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+
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+ [tool.setuptools.packages.find]
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+ where = ["src"]
dtaudit-0.0.1/setup.cfg ADDED
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+ [egg_info]
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+ tag_build =
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+ tag_date = 0
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+
dtaudit-0.0.1/src/dtaudit/__init__.py ADDED
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+ """dtaudit: diagnostic audits for drug-target affinity benchmarks.
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+
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+ This release only reserves the package name; the first functional release is
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+ in preparation.
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+ """
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+ __version__ = "0.0.1"
dtaudit-0.0.1/src/dtaudit.egg-info/PKG-INFO ADDED
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+ Metadata-Version: 2.4
2
+ Name: dtaudit
3
+ Version: 0.0.1
4
+ Summary: Diagnostic audits for drug-target affinity (DTA) benchmarks (name reserved; first release forthcoming)
5
+ Author-email: danielLuo2 <31luoxudong@gmail.com>
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+ License-Expression: MIT
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+ Keywords: drug-target affinity,DTA,benchmark,evaluation,bioinformatics
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+ Classifier: Development Status :: 1 - Planning
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+ Classifier: Intended Audience :: Science/Research
10
+ Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
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+ Classifier: Programming Language :: Python :: 3
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+ Requires-Python: >=3.9
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+ Description-Content-Type: text/markdown
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+
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+ # dtaudit
16
+
17
+ Diagnostic audits for drug-target affinity (DTA) benchmarks.
18
+
19
+ `dtaudit` takes a table of test-set predictions (drug, target, label,
20
+ prediction) and reports what pooled MSE and concordance index hide: how a model
21
+ compares with trivial drug / target main-effect baselines, whether it captures
22
+ drug-target interactions beyond those main effects, whether its predictions
23
+ have collapsed toward a constant, and how censored affinity labels affect the
24
+ evaluation.
25
+
26
+ **This release only reserves the package name and contains no functionality.**
27
+ The first functional release is in preparation; please do not depend on this
28
+ version.
dtaudit-0.0.1/src/dtaudit.egg-info/SOURCES.txt ADDED
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+ README.md
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+ pyproject.toml
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+ src/dtaudit/__init__.py
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+ src/dtaudit.egg-info/PKG-INFO
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+ src/dtaudit.egg-info/SOURCES.txt
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+ src/dtaudit.egg-info/dependency_links.txt
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+ src/dtaudit.egg-info/top_level.txt
dtaudit-0.0.1/src/dtaudit.egg-info/top_level.txt ADDED
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+ dtaudit