Update chai_input_preparation.py

amorehead · web-flow · commit f62d3a2ad778 · 2024-11-09T13:34:19.000-06:00
diff --git a/posebench/data/chai_input_preparation.py b/posebench/data/chai_input_preparation.py
@@ -126,7 +126,7 @@ def write_scripts(
 )
 def main(cfg: DictConfig):
     """Parse a data directory containing subdirectories of protein-ligand complexes and prepare
-    corresponding inference CSV file for the DiffDock model.
+    corresponding inference CSV file for the Chai-1 model.
 
     :param cfg: Configuration dictionary from the hydra YAML file.
     """

Original file line number	Diff line number	Diff line change
`@@ -126,7 +126,7 @@ def write_scripts(`
`126`	`126`	`)`
`127`	`127`	`def main(cfg: DictConfig):`
`128`	`128`	`"""Parse a data directory containing subdirectories of protein-ligand complexes and prepare`
`129`		`- corresponding inference CSV file for the DiffDock model.`
	`129`	`+ corresponding inference CSV file for the Chai-1 model.`
`130`	`130`
`131`	`131`	`:param cfg: Configuration dictionary from the hydra YAML file.`
`132`	`132`	`"""`