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3 changes: 1 addition & 2 deletions .github/workflows/base-ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -28,10 +28,9 @@ jobs:
name: CI (${{ matrix.os }}, py-${{ matrix.python-version }}, openeye=${{ matrix.include-openeye }}
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest]
python-version: ["3.12"]
python-version: ["3.13"]
include-openeye: [false, true]

steps:
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3 changes: 1 addition & 2 deletions .github/workflows/dev-ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -24,10 +24,9 @@ jobs:
name: Nightly check
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest]
python-version: ["3.12"]
python-version: ["3.13"]

steps:
- uses: actions/checkout@v7
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84 changes: 0 additions & 84 deletions .github/workflows/examples-ci.yaml

This file was deleted.

8 changes: 3 additions & 5 deletions .github/workflows/gh-ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -28,12 +28,11 @@ jobs:
name: CI (${{ matrix.os }}, py-${{ matrix.python-version }}, openeye=${{ matrix.include-openeye }}, dgl=${{ matrix.include-dgl }})
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest]
python-version: ["3.12"]
python-version: ["3.13"]
include-openeye: [false, true]
include-dgl: [false, true]
include-dgl: [false]

steps:
- uses: actions/checkout@v7
Expand Down Expand Up @@ -99,9 +98,8 @@ jobs:
install_from_source_conda:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python-version: ["3.12"]
python-version: ["3.12", "3.13"]

steps:
- uses: actions/checkout@v7
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102 changes: 0 additions & 102 deletions .github/workflows/gpu.yaml

This file was deleted.

26 changes: 16 additions & 10 deletions openff/nagl/nn/gcn/_base.py
Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,17 @@
from openff.nagl.nn.activation import ActivationFunction
from openff.nagl.nn._base import ContainsLayersMixin

# Source - https://stackoverflow.com/a/5192374
# Posted by jchl
# Retrieved 2026-09-08, License - CC BY-SA 2.5
class classproperty:
def __init__(self, func):
self.func = func

def __get__(self, instance, owner):
return self.func(owner)


GCNLayerType = TypeVar("GCNLayerType", bound=torch.nn.Module)


Expand Down Expand Up @@ -62,32 +73,27 @@ class BaseGCNStack(

# hidden_feature_sizes: List[GCNLayerType]

@classmethod
@property
@classproperty
@abc.abstractmethod
def name(cls) -> str:
pass

@classmethod
@property
@classproperty
@abc.abstractmethod
def available_aggregator_types(cls) -> str:
"""The aggregator options to use for the GCN layers."""

@classmethod
@property
@classproperty
@abc.abstractmethod
def default_aggregator_type(cls) -> str:
"""The aggregator options to use for the GCN layers."""

@classmethod
@property
@classproperty
@abc.abstractmethod
def default_dropout(cls) -> str:
"""The aggregator options to use for the GCN layers."""

@classmethod
@property
@classproperty
@abc.abstractmethod
def default_activation_function(cls) -> str:
"""The aggregator options to use for the GCN layers."""
Expand Down