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usnistgov · Nov 27, 2024 · c9bed52 · c9bed52
1 parent 0a0fce6
commit c9bed52
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/atomgpt/forward_models/forward_models.py b/atomgpt/forward_models/forward_models.py
@@ -278,7 +278,7 @@ def __getitem__(self, idx):
 # Example usage
 
 
-def run_atomgpt(config_file="config.json"):
+def main(config_file="config.json"):
     print("Running AtomGPT prop predictor.")
     # run_path = os.path.abspath(config_file).split("config.json")[0]
     config = loadjson(config_file)

diff --git a/atomgpt/inverse_models/inverse_models.py b/atomgpt/inverse_models/inverse_models.py
@@ -257,7 +257,7 @@ def batch_evaluate(
     f.close()
 
 
-def run_atomgpt_inverse(config_file="config.json"):
+def main(config_file="config.json"):
     figlet = get_figlet()
     print(figlet)
     t1 = time.time()

diff --git a/setup.py b/setup.py
@@ -23,7 +23,7 @@
         "protobuf",
         # "alignn",
     ],
-    # scripts=["atomgpt/train_prop.py"],
+    scripts=["atomgpt/train_prop.py"],
     entry_points={
         "console_scripts": [
             "atomgpt_forward=atomgpt.forward_models.forward_models:main",