forked from enviPath/enviPy
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2
Commits
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493990566a | ||
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7a6d8d7aec |
+17
-1
@@ -29,6 +29,8 @@ class SamplingAlgorithm(enum.Enum):
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class BB4GConfig(EnviPyModel):
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class BB4GConfig(EnviPyModel):
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sampling_algorithm: SamplingAlgorithm = SamplingAlgorithm.EXACT
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sampling_algorithm: SamplingAlgorithm = SamplingAlgorithm.EXACT
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cutoff: int = -5
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cutoff: int = -5
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model: str = "rat"
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mode: str | None = None
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class UI:
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class UI:
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title = "BB4G Configuration"
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title = "BB4G Configuration"
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@@ -44,6 +46,18 @@ class BB4GConfig(EnviPyModel):
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order=2,
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order=2,
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placeholder="If unset defaults to -5"
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placeholder="If unset defaults to -5"
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)
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)
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model = UIConfig(
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widget=WidgetType.TEXT,
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label="BB4G Model",
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order=3,
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placeholder="If unset defaults to rat"
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)
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mode = UIConfig(
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widget=WidgetType.TEXT,
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label="BB4G Mode",
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order=4,
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placeholder="If unset defaults to None"
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)
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# Once stable these will be exposed by enviPy-plugins lib
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# Once stable these will be exposed by enviPy-plugins lib
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@@ -127,7 +141,7 @@ class BB4G(Classifier):
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def run(self, eP: EnviPyDTO, *args, **kwargs) -> RunResult:
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def run(self, eP: EnviPyDTO, *args, **kwargs) -> RunResult:
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# Ensure Service is running
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# Ensure Service is running
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self.start()
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# self.start()
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smiles = [c.smiles for c in eP.get_compounds()]
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smiles = [c.smiles for c in eP.get_compounds()]
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preds = self._post(smiles)
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preds = self._post(smiles)
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@@ -167,6 +181,8 @@ class BB4G(Classifier):
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"smiles": smi,
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"smiles": smi,
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"sampling_alg": self.config.sampling_algorithm.value,
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"sampling_alg": self.config.sampling_algorithm.value,
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"cutoff": self.config.cutoff,
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"cutoff": self.config.cutoff,
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"model": self.config.model,
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"mode": self.config.mode,
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}
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}
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retries = 0
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retries = 0
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@@ -283,15 +283,6 @@
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{{ ne.content }}
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{{ ne.content }}
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</p>
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</p>
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</div>
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</div>
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<a href="{{ ne.url }}" class="btn btn-primary btn-sm w-full group-hover:btn-active mt-1">
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Read Full
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<svg xmlns="http://www.w3.org/2000/svg" class="h-3.5 w-3.5" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round">
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<path d="M18 13v6a2 2 0 0 1-2 2H5a2 2 0 0 1-2-2V8a2 2 0 0 1 2-2h6"></path>
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<polyline points="15 3 21 3 21 9"></polyline>
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<line x1="10" y1="14" x2="21" y2="3"></line>
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</svg>
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</a>
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</div>
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</div>
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{% endfor %}
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{% endfor %}
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</div>
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</div>
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