Add base model and implement model class resolution

chemicalx/models/__init__.py

@@ -1,4 +1,7 @@
+from class_resolver import Resolver  # noqa:F401,F403
+
 from .audnnsynergy import *  # noqa:F401,F403
+from .base import Model  # noqa:F401,F403
 from .caster import *  # noqa:F401,F403
 from .deepcci import *  # noqa:F401,F403
 from .deepddi import *  # noqa:F401,F403
@@ -12,3 +15,5 @@
 from .mhcaddi import *  # noqa:F401,F403
 from .mrgnn import *  # noqa:F401,F403
 from .ssiddi import *  # noqa:F401,F403
+
+model_resolver = Resolver.from_subclasses(base=Model)

chemicalx/models/audnnsynergy.py

@@ -1,3 +1,9 @@
-class AUDNNSynergy:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "AUDNNSynergy",
+]
+
+
+class AUDNNSynergy(Model):
+    pass

chemicalx/models/base.py

@@ -0,0 +1,12 @@
+"""Base classes for models and utilities."""
+
+__all__ = [
+    "Model",
+]
+
+
+class Model:
+    """The base class for ChemicalX models."""
+
+    def __init__(self, x: int):
+        self.x = x

chemicalx/models/caster.py

@@ -1,3 +1,12 @@
-class CASTER:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "CASTER",
+]
+
+
+class CASTER(Model):
+    """An implementation of the CASTER model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/15
+    """

chemicalx/models/deepcci.py

@@ -1,3 +1,12 @@
-class DeepCCI:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "DeepCCI",
+]
+
+
+class DeepCCI(Model):
+    """An implementation of the DeepCCI model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/1
+    """

chemicalx/models/deepddi.py

@@ -1,3 +1,12 @@
-class DeepDDI:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "DeepDDI",
+]
+
+
+class DeepDDI(Model):
+    """An implementation of the DeepDDI model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/2
+    """

chemicalx/models/deepdds.py

@@ -1,3 +1,12 @@
-class DeepDDS:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "DeepDDS",
+]
+
+
+class DeepDDS(Model):
+    """An implementation of the DeepDDS model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/19
+    """

chemicalx/models/deepdrug.py

@@ -1,3 +1,12 @@
-class DeepDrug:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "DeepDrug",
+]
+
+
+class DeepDrug(Model):
+    """An implementation of the DeepDrug model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/14
+    """

chemicalx/models/deepsynergy.py

@@ -1,3 +1,12 @@
-class DeepSynergy:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "DeepSynergy",
+]
+
+
+class DeepSynergy(Model):
+    """An implementation of the DeepSynergy model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/16
+    """

chemicalx/models/dpddi.py

@@ -1,3 +1,12 @@
-class DPDDI:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "DPDDI",
+]
+
+
+class DPDDI(Model):
+    """An implementation of the DPDDI model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/20
+    """

chemicalx/models/epgcnds.py

@@ -1,3 +1,12 @@
-class EPGCNDS:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "EPGCNDS",
+]
+
+
+class EPGCNDS(Model):
+    """An implementation of the EPGCNDS model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/22
+    """

chemicalx/models/gcnbmp.py

@@ -1,3 +1,12 @@
-class GCNBMP:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "GCNBMP",
+]
+
+
+class GCNBMP(Model):
+    """An implementation of the GCNBMP model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/21
+    """

chemicalx/models/matchmaker.py

@@ -1,3 +1,12 @@
-class MatchMaker:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "MatchMaker",
+]
+
+
+class MatchMaker(Model):
+    """An implementation of the MatchMaker model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/23
+    """

chemicalx/models/mhcaddi.py

@@ -1,3 +1,12 @@
-class MHCADDI:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "MHCADDI",
+]
+
+
+class MHCADDI(Model):
+    """An implementation of the MHCADDI model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/13
+    """

chemicalx/models/mrgnn.py

@@ -1,3 +1,12 @@
-class MRGNN:
-    def __init__(self, x: int):
-        self.x = 2
+from .base import Model
+
+__all__ = [
+    "MRGNN",
+]
+
+
+class MRGNN(Model):
+    """An implementation of the MR-GNN model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/12
+    """

chemicalx/models/ssiddi.py

@@ -1,3 +1,12 @@
-class SSIDDI:
-    def __init__(self, x: int):
-        self.x = x
+from .base import Model
+
+__all__ = [
+    "SSIDDI",
+]
+
+
+class SSIDDI(Model):
+    """An implementation of the SSI-DDI model.
+
+    .. seealso:: https://github.com/AstraZeneca/chemicalx/issues/11
+    """

setup.py

@@ -10,6 +10,7 @@
     "tqdm",
     "six",
     "scikit-learn",
+    "class-resolver",
 ]