Change default config file for training script (#249)

leeleolay · web-flow · commit 20975d045063 · 2026-03-06T15:57:35.000+08:00
diff --git a/electronic_structure/train.py b/electronic_structure/train.py
@@ -77,7 +77,7 @@ def read_independent_dataloader_config(config):
         "-c",
         "--config",
         type=str,
-        default="./electronic_structure/configs/infgcn_md.yaml",
+        default="./electronic_structure/configs/infgcn_md17_benzene.yaml",
         help="Path to config file",
     )
 

Original file line number	Diff line number	Diff line change
`@@ -77,7 +77,7 @@ def read_independent_dataloader_config(config):`
`77`	`77`	`"-c",`
`78`	`78`	`"--config",`
`79`	`79`	`type=str,`
`80`		`- default="./electronic_structure/configs/infgcn_md.yaml",`
	`80`	`+ default="./electronic_structure/configs/infgcn_md17_benzene.yaml",`
`81`	`81`	`help="Path to config file",`
`82`	`82`	`)`
`83`	`83`