Revise deprecated models to legacy models section

README.md

@@ -112,9 +112,15 @@ solutions, metal complexes and other challenging systems, PET-OAM models for mat
 discovery tasks (convex hull energies, geometry optimization, phonons, etc), and PET-SPICE for accurate and fast 
 simulations of molecules and biomolecules.
 
-**Deprecated models**:
-- PET-MAD v1.0.2 and v1.1.0 models are deprecated in favor of the newer PET-MAD v1.5.0 
-- PET-OMAD v0.1.0 and v1.0 models are deprecated in favor of the newer PET-MAD v1.5.0 
+**Legacy models**:
+
+For reproducibility or to cover specific use case we also provide a few additional models, even though they are 
+expected to have worse performance than the models listed above. 
+
+| Name        | Level of theory         | Available sizes        | To be used for          | Training set          |
+|:------------|:-----------------------:|:----------------------:|:-----------------------:|:---------------------:|
+| PET-MAD-1   | PBESol                  | S                      | materials and molecules | MAD-1.0               |
+| PET-OMAD    | PBESol                  | XS, S, L               | materials               | OMat -> MAD-1.0       |
 
 All the checkpoints are available on the [HuggingFace repository](https://huggingface.co/lab-cosmo/upet).
 

src/upet/_models.py

@@ -181,19 +181,11 @@ def _get_upet_exported_atomistic_model(
 
         model_name = f"{model}-{size}-v{version}"
         if model_name in DEPRECATED_MODELS:
-            if "mad" in model_name:
-                warn_msg = (
-                    f"Model {model_name} is deprecated in favor of the newer "
-                    "PET-MAD-1.5 version. Please use the latest PET-MAD-1.5 model "
-                    "(e.g., pet-mad-s-v1.5.0) for better performance and accuracy "
-                    "across 102 elements at the r2SCAN level of theory."
-                )
-            else:
-                warn_msg = (
-                    f"Model {model_name} is deprecated and may not be supported in "
-                    "future versions. Please switch to a newer model for better "
-                    "performance and support."
-                )
+            warn_msg = (
+                f"Model {model_name} is deprecated and may not be supported in "
+                "future versions. Please switch to a newer model for better "
+                "performance and support."
+            )
             warnings.warn(warn_msg, category=DeprecationWarning, stacklevel=2)
 
         model_string = f"{model_name}.ckpt"

src/upet/_version.py

@@ -27,13 +27,7 @@
     "pet-mad-s-v1.5.0",
 ]
 
-DEPRECATED_MODELS = [
-    "pet-mad-s-v1.0.2",
-    "pet-mad-s-v1.1.0",
-    "pet-omad-xs-v1.0.0",
-    "pet-omad-s-v1.0.0",
-    "pet-omad-l-v0.1.0",
-]
+DEPRECATED_MODELS: list[str] = []
 
 # PET-MAD DOS
 PET_MAD_DOS_LATEST_STABLE_VERSION = "1.0"