From 96ec84a19dc2f0f0b0705c6df4e9898ef3092d2f Mon Sep 17 00:00:00 2001
From: Allen Goodman <allen.goodman@icloud.com>
Date: Tue, 16 Jul 2024 15:43:39 -0400
Subject: [PATCH] tdc

---
 src/beignet/datasets/_aqsoldb_solubility_dataset.py    | 10 +++++-----
 src/beignet/datasets/_astrazeneca_clearance_dataset.py | 10 +++++-----
 .../datasets/_astrazeneca_lipophilicity_dataset.py     | 10 +++++-----
 ..._astrazeneca_plasma_protein_binding_rate_dataset.py | 10 +++++-----
 .../_broccatelli_p_glycoprotein_inhibition_dataset.py  | 10 +++++-----
 ...on_mangels_cytochrome_p450_2c9_substrate_dataset.py | 10 +++++-----
 ...on_mangels_cytochrome_p450_2d6_substrate_dataset.py | 10 +++++-----
 ...on_mangels_cytochrome_p450_3a4_substrate_dataset.py | 10 +++++-----
 src/beignet/datasets/_clintox_dataset.py               | 10 +++++-----
 src/beignet/datasets/_freesolv_dataset.py              | 10 +++++-----
 .../_hou_human_intestinal_absorption_dataset.py        | 10 +++++-----
 ...o_volume_of_distribution_at_steady_state_dataset.py | 10 +++++-----
 src/beignet/datasets/_ma_bioavailability_dataset.py    | 10 +++++-----
 .../datasets/_martins_blood_brain_barrier_dataset.py   | 10 +++++-----
 .../datasets/_ncats_pampa_permeability_dataset.py      |  4 ++--
 src/beignet/datasets/_obach_half_life_dataset.py       | 10 +++++-----
 src/beignet/datasets/_toxcast_dataset.py               |  4 ++--
 .../datasets/_wang_effective_permeability_dataset.py   | 10 +++++-----
 18 files changed, 84 insertions(+), 84 deletions(-)

diff --git a/src/beignet/datasets/_aqsoldb_solubility_dataset.py b/src/beignet/datasets/_aqsoldb_solubility_dataset.py
index d5a0d8dcbf..19d065c088 100644
--- a/src/beignet/datasets/_aqsoldb_solubility_dataset.py
+++ b/src/beignet/datasets/_aqsoldb_solubility_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="curated-solubility-dataset.tab",
-            checksum="5370aa67615adb2f11806ed1aaed37c2bf91e634d36ebaf40509c16d5cede8a0",
-            x_keys=["SMILES"],
-            y_keys=["Solubility"],
+            identifier=4259610,
+            suffix="tsv",
+            checksum="md5:f37a03ee4e76af21f54cfaacb679bcb2",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_astrazeneca_clearance_dataset.py b/src/beignet/datasets/_astrazeneca_clearance_dataset.py
index 0d4bd4511f..eba922ac92 100644
--- a/src/beignet/datasets/_astrazeneca_clearance_dataset.py
+++ b/src/beignet/datasets/_astrazeneca_clearance_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4266187,
+            suffix="tsv",
+            checksum="md5:5131f387fa3bf9b63c8a538e4d1f8655",
+            x_keys=["X"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_astrazeneca_lipophilicity_dataset.py b/src/beignet/datasets/_astrazeneca_lipophilicity_dataset.py
index bc9f294d28..d97c8a9374 100644
--- a/src/beignet/datasets/_astrazeneca_lipophilicity_dataset.py
+++ b/src/beignet/datasets/_astrazeneca_lipophilicity_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259595,
+            suffix="tsv",
+            checksum="md5:86b11a01b981e0096ee9c063c2959bd8",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_astrazeneca_plasma_protein_binding_rate_dataset.py b/src/beignet/datasets/_astrazeneca_plasma_protein_binding_rate_dataset.py
index 9cce9e12bb..1c1fe22498 100644
--- a/src/beignet/datasets/_astrazeneca_plasma_protein_binding_rate_dataset.py
+++ b/src/beignet/datasets/_astrazeneca_plasma_protein_binding_rate_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=6413140,
+            suffix="tsv",
+            checksum="md5:239d456856f13b1e643f0138a593d2a3",
+            x_keys=["Drug", "Species"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_broccatelli_p_glycoprotein_inhibition_dataset.py b/src/beignet/datasets/_broccatelli_p_glycoprotein_inhibition_dataset.py
index 71794efd4d..bd12bad325 100644
--- a/src/beignet/datasets/_broccatelli_p_glycoprotein_inhibition_dataset.py
+++ b/src/beignet/datasets/_broccatelli_p_glycoprotein_inhibition_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259597,
+            suffix="tsv",
+            checksum="md5:7aa092eeaa58652b412bdb31845bfacc",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2c9_substrate_dataset.py b/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2c9_substrate_dataset.py
index 603bd49009..6abf361f32 100644
--- a/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2c9_substrate_dataset.py
+++ b/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2c9_substrate_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259584,
+            suffix="tsv",
+            checksum="md5:9e413fa5c63150cd345d65688994c63e",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2d6_substrate_dataset.py b/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2d6_substrate_dataset.py
index c8d63b3616..007f2e8e84 100644
--- a/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2d6_substrate_dataset.py
+++ b/src/beignet/datasets/_carbon_mangels_cytochrome_p450_2d6_substrate_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259578,
+            suffix="tsv",
+            checksum="md5:e923126f30d29e8ce4ae489dae0ec667",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_carbon_mangels_cytochrome_p450_3a4_substrate_dataset.py b/src/beignet/datasets/_carbon_mangels_cytochrome_p450_3a4_substrate_dataset.py
index 55c3e79d9d..74a981c1c6 100644
--- a/src/beignet/datasets/_carbon_mangels_cytochrome_p450_3a4_substrate_dataset.py
+++ b/src/beignet/datasets/_carbon_mangels_cytochrome_p450_3a4_substrate_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259581,
+            suffix="tsv",
+            checksum="md5:af151fc7db6c47587afc7adc24861bb5",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_clintox_dataset.py b/src/beignet/datasets/_clintox_dataset.py
index cef744d45b..906cae55d9 100644
--- a/src/beignet/datasets/_clintox_dataset.py
+++ b/src/beignet/datasets/_clintox_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259572,
+            suffix="tsv",
+            checksum="md5:4b0aa740b54f6096775c6fd88c625aea",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_freesolv_dataset.py b/src/beignet/datasets/_freesolv_dataset.py
index 5aae335ea6..02a58769ee 100644
--- a/src/beignet/datasets/_freesolv_dataset.py
+++ b/src/beignet/datasets/_freesolv_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259594,
+            suffix="tsv",
+            checksum="md5:fbbad23184e31f8487c0a59790fa8d16",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_hou_human_intestinal_absorption_dataset.py b/src/beignet/datasets/_hou_human_intestinal_absorption_dataset.py
index d717ef76da..87ca4344fd 100644
--- a/src/beignet/datasets/_hou_human_intestinal_absorption_dataset.py
+++ b/src/beignet/datasets/_hou_human_intestinal_absorption_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259591,
+            suffix="tsv",
+            checksum="md5:ac7ff041863c80d25f22a8453c297ad3",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_lombardo_volume_of_distribution_at_steady_state_dataset.py b/src/beignet/datasets/_lombardo_volume_of_distribution_at_steady_state_dataset.py
index 5ac582f7ed..34c4e23c9c 100644
--- a/src/beignet/datasets/_lombardo_volume_of_distribution_at_steady_state_dataset.py
+++ b/src/beignet/datasets/_lombardo_volume_of_distribution_at_steady_state_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4267387,
+            suffix="tsv",
+            checksum="md5:3f62305e33a2ca386e5bc574cdfef831",
+            x_keys=["X"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_ma_bioavailability_dataset.py b/src/beignet/datasets/_ma_bioavailability_dataset.py
index 05ceed4b6e..6c0965ea99 100644
--- a/src/beignet/datasets/_ma_bioavailability_dataset.py
+++ b/src/beignet/datasets/_ma_bioavailability_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259567,
+            suffix="tsv",
+            checksum="md5:c216ec2106e1294ed1faec3adba6945f",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_martins_blood_brain_barrier_dataset.py b/src/beignet/datasets/_martins_blood_brain_barrier_dataset.py
index 656903929c..e365f41208 100644
--- a/src/beignet/datasets/_martins_blood_brain_barrier_dataset.py
+++ b/src/beignet/datasets/_martins_blood_brain_barrier_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259566,
+            suffix="tsv",
+            checksum="md5:2b3ffd8e73da358617a8eb8ee51a00c3",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_ncats_pampa_permeability_dataset.py b/src/beignet/datasets/_ncats_pampa_permeability_dataset.py
index 59bc645661..5ca5cdede6 100644
--- a/src/beignet/datasets/_ncats_pampa_permeability_dataset.py
+++ b/src/beignet/datasets/_ncats_pampa_permeability_dataset.py
@@ -36,8 +36,8 @@ def __init__(
             root=root,
             download=download,
             identifier=6695857,
-            suffix="approved_pampa_ncats.tab",
-            checksum="2b1f7275a768da97cc01c0187958e2350f40beddc5f20ade0eb6317cdaa2262c",
+            suffix="tsv",
+            checksum="md5:535f90234e93a5d83c258f221c1532be",
             x_keys=["Drug"],
             y_keys=["Y"],
             transform=transform,
diff --git a/src/beignet/datasets/_obach_half_life_dataset.py b/src/beignet/datasets/_obach_half_life_dataset.py
index 850c5653d7..e6322afc67 100644
--- a/src/beignet/datasets/_obach_half_life_dataset.py
+++ b/src/beignet/datasets/_obach_half_life_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4266799,
+            suffix="tsv",
+            checksum="md5:be0f84a78f7f01205758e34e74e639f2",
+            x_keys=["X"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )
diff --git a/src/beignet/datasets/_toxcast_dataset.py b/src/beignet/datasets/_toxcast_dataset.py
index 77d7703a1a..4e4919d993 100644
--- a/src/beignet/datasets/_toxcast_dataset.py
+++ b/src/beignet/datasets/_toxcast_dataset.py
@@ -35,9 +35,9 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
+            identifier=4259613,
             suffix="",
-            checksum="",
+            checksum="md5:1e0fd766fca9deac11ce1df7f50c954f",
             x_keys=[""],
             y_keys=[""],
             transform=transform,
diff --git a/src/beignet/datasets/_wang_effective_permeability_dataset.py b/src/beignet/datasets/_wang_effective_permeability_dataset.py
index 1fcfb30e60..1501b2b1c4 100644
--- a/src/beignet/datasets/_wang_effective_permeability_dataset.py
+++ b/src/beignet/datasets/_wang_effective_permeability_dataset.py
@@ -35,11 +35,11 @@ def __init__(
         super().__init__(
             root=root,
             download=download,
-            identifier=0,
-            suffix="",
-            checksum="",
-            x_keys=[""],
-            y_keys=[""],
+            identifier=4259569,
+            suffix="tsv",
+            checksum="md5:5917ffda146f4ccfc24791951c16bae1",
+            x_keys=["Drug"],
+            y_keys=["Y"],
             transform=transform,
             target_transform=target_transform,
         )