clean: mat_bench -> matbench

Author: CompRhys

examples/wrenformer/mat_bench/__init__.py examples/wrenformer/matbench/__init__.pyexamples/wrenformer/mat_bench/__init__.py renamed to examples/wrenformer/matbench/__init__.py

@@ -13,7 +13,7 @@
 from tqdm import tqdm
 
 from aviary import ROOT
-from examples.wrenformer.mat_bench import DATA_PATHS
+from examples.wrenformer.matbench import DATA_PATHS
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-05-17"

…ompare_spglib_vs_aflow_wyckoff_labels.py …ompare_spglib_vs_aflow_wyckoff_labels.pyexamples/wrenformer/mat_bench/compare_spglib_vs_aflow_wyckoff_labels.py renamed to examples/wrenformer/matbench/compare_spglib_vs_aflow_wyckoff_labels.py examples/wrenformer/mat_bench/compare_spglib_vs_aflow_wyckoff_labels.py renamed to examples/wrenformer/matbench/compare_spglib_vs_aflow_wyckoff_labels.py

@@ -11,19 +11,19 @@
 import pandas as pd
 import plotly.express as px
 import pymatviz as pmv
-from matbench import MatbenchBenchmark
-from matbench.constants import CLF_KEY, REG_KEY
-from matbench.metadata import mbv01_metadata as matbench_metadata
 from sklearn.metrics import r2_score, roc_auc_score
 
-from examples.wrenformer.mat_bench import DATA_PATHS
-from examples.wrenformer.mat_bench.plotting_functions import (
+from examples.wrenformer.matbench import DATA_PATHS
+from examples.wrenformer.matbench.plotting_functions import (
     dataset_labels_html,
     error_heatmap,
     plot_leaderboard,
     scale_errors,
 )
-from examples.wrenformer.mat_bench.utils import recursive_dict_merge
+from examples.wrenformer.matbench.utils import recursive_dict_merge
+from matbench import MatbenchBenchmark
+from matbench.constants import CLF_KEY, REG_KEY
+from matbench.metadata import mbv01_metadata as matbench_metadata
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-04-25"

…mples/wrenformer/mat_bench/make_plots.py …amples/wrenformer/matbench/make_plots.pyexamples/wrenformer/mat_bench/make_plots.py renamed to examples/wrenformer/matbench/make_plots.py examples/wrenformer/mat_bench/make_plots.py renamed to examples/wrenformer/matbench/make_plots.py

@@ -5,10 +5,11 @@
 import numpy as np
 import plotly.express as px
 import plotly.io as pio
+from sklearn.metrics import accuracy_score, auc, roc_curve
+
 from matbench.constants import CLF_KEY, REG_KEY
 from matbench.metadata import mbv01_metadata
 from matbench.metadata import mbv01_metadata as matbench_metadata
-from sklearn.metrics import accuracy_score, auc, roc_curve
 
 if TYPE_CHECKING:
     import pandas as pd

…enformer/mat_bench/plotting_functions.py …renformer/matbench/plotting_functions.pyexamples/wrenformer/mat_bench/plotting_functions.py renamed to examples/wrenformer/matbench/plotting_functions.py examples/wrenformer/mat_bench/plotting_functions.py renamed to examples/wrenformer/matbench/plotting_functions.py

@@ -4,7 +4,7 @@ This directory contains the files needed to create Matbench submissions for Roos
 
 Added in [aviary#44](https://github.com/CompRhys/aviary/pull/44).
 
-Directory is named `mat_bench` to avoid shadowing the `matbench` package.
+Directory is named `matbench` to avoid shadowing the `matbench` package.
 
 The important files are:
 
@@ -25,7 +25,7 @@ According to Rhys, Wren could run 500 epochs in 5.5 h on a P100 training on 120k
 ```py
 import pandas as pd
 from pymatgen.analysis.prototypes import count_wyckoff_positions
-from examples.wrenformer.mat_bench import DATA_PATHS
+from examples.wrenformer.matbench import DATA_PATHS
 
 df = pd.read_json(DATA_PATHS["matbench_mp_e_form"])
 

examples/wrenformer/mat_bench/readme.md examples/wrenformer/matbench/readme.mdexamples/wrenformer/mat_bench/readme.md renamed to examples/wrenformer/matbench/readme.md

@@ -1,9 +1,9 @@
 import pandas as pd
-from matbench import MatbenchBenchmark
 from pymatgen.analysis.prototypes import get_protostructure_label_from_spglib
 from tqdm import tqdm
 
 from aviary import ROOT
+from matbench import MatbenchBenchmark
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-04-11"

…/mat_bench/save_matbench_aflow_labels.py …r/matbench/save_matbench_aflow_labels.pyexamples/wrenformer/mat_bench/save_matbench_aflow_labels.py renamed to examples/wrenformer/matbench/save_matbench_aflow_labels.py examples/wrenformer/mat_bench/save_matbench_aflow_labels.py renamed to examples/wrenformer/matbench/save_matbench_aflow_labels.py

@@ -5,14 +5,14 @@
 
 import pandas as pd
 import wandb
-from matbench.metadata import mbv01_metadata
-from matbench.task import MatbenchTask
 from matbench_discovery.slurm import slurm_submit
 
 from aviary.core import TaskType
 from aviary.train import train_wrenformer
-from examples.wrenformer.mat_bench import DATA_PATHS
-from examples.wrenformer.mat_bench.utils import merge_json_on_disk
+from examples.wrenformer.matbench import DATA_PATHS
+from examples.wrenformer.matbench.utils import merge_json_on_disk
+from matbench.metadata import mbv01_metadata
+from matbench.task import MatbenchTask
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-04-11"