From 7a6d8d7aeca5af05e9370b9e1cde3a282c282ce3 Mon Sep 17 00:00:00 2001 From: Tim Lorsbach Date: Wed, 21 Oct 2026 11:59:53 +0200 Subject: [PATCH 1/3] ... --- templates/index/index.html | 9 --------- 1 file changed, 9 deletions(-) diff --git a/templates/index/index.html b/templates/index/index.html index 0df2b502..9fd62692 100644 --- a/templates/index/index.html +++ b/templates/index/index.html @@ -283,15 +283,6 @@ {{ ne.content }}

- - - Read Full - - - - - - {% endfor %} -- 2.43.0 From 493990566af07f2868986f0b2bffeb26a4390a7e Mon Sep 17 00:00:00 2001 From: Tim Lorsbach Date: Wed, 21 Oct 2026 10:21:58 +0200 Subject: [PATCH 2/3] adjusted bb4g for dev --- bb4g/__init__.py | 18 +++++++++++++++++- 1 file changed, 17 insertions(+), 1 deletion(-) diff --git a/bb4g/__init__.py b/bb4g/__init__.py index 4c93cd8f..f85952b4 100644 --- a/bb4g/__init__.py +++ b/bb4g/__init__.py @@ -29,6 +29,8 @@ class SamplingAlgorithm(enum.Enum): class BB4GConfig(EnviPyModel): sampling_algorithm: SamplingAlgorithm = SamplingAlgorithm.EXACT cutoff: int = -5 + model: str = "rat" + mode: str | None = None class UI: title = "BB4G Configuration" @@ -44,6 +46,18 @@ class BB4GConfig(EnviPyModel): order=2, placeholder="If unset defaults to -5" ) + model = UIConfig( + widget=WidgetType.TEXT, + label="BB4G Model", + order=3, + placeholder="If unset defaults to rat" + ) + mode = UIConfig( + widget=WidgetType.TEXT, + label="BB4G Mode", + order=4, + placeholder="If unset defaults to None" + ) # Once stable these will be exposed by enviPy-plugins lib @@ -127,7 +141,7 @@ class BB4G(Classifier): def run(self, eP: EnviPyDTO, *args, **kwargs) -> RunResult: # Ensure Service is running - self.start() + # self.start() smiles = [c.smiles for c in eP.get_compounds()] preds = self._post(smiles) @@ -167,6 +181,8 @@ class BB4G(Classifier): "smiles": smi, "sampling_alg": self.config.sampling_algorithm.value, "cutoff": self.config.cutoff, + "model": self.config.model, + "mode": self.config.mode, } retries = 0 -- 2.43.0 From d1dd6127f7eb8c365a979a4c616f2ad0284c38a4 Mon Sep 17 00:00:00 2001 From: Tim Lorsbach Date: Mon, 9 Nov 2026 22:25:20 +0100 Subject: [PATCH 3/3] Enable init call for transition --- bb4g/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/bb4g/__init__.py b/bb4g/__init__.py index f85952b4..c7bd4f83 100644 --- a/bb4g/__init__.py +++ b/bb4g/__init__.py @@ -141,7 +141,7 @@ class BB4G(Classifier): def run(self, eP: EnviPyDTO, *args, **kwargs) -> RunResult: # Ensure Service is running - # self.start() + self.start() smiles = [c.smiles for c in eP.get_compounds()] preds = self._post(smiles) -- 2.43.0