added scripts for equiformer, updated readme, removed tracking of pycache

.gitignore

@@ -20,10 +20,13 @@ models/matris/**/*.o
 *.o
 *.pdf
 
+# Python cache
 __pycache__/
-*.py[cod]
-*$py.class
+*.pyc
+*.pyo
+*.pyd
 
 # Evaluation outputs
 eval_results/
-**/eval_results/
+**/eval_results/
+checkpoints_matris/

README.md

@@ -14,7 +14,7 @@ size_categories:
 
 ## Repository Structure
 
-Datasets are stored in the `datasets/` directory and are provided in both `.h5` and `.xyz` formats. The directory also includes the 1000 larger systems dataset. For `.h5` datasets (used with EquiformerV2), the training and validation split is handled automatically during loading. The reaaining models used `.xyz` format.
+Datasets are stored in the `datasets/` directory and are provided in both `.h5` and `.xyz` formats. The directory also includes the 1000 larger systems dataset. For `.h5` datasets (used with EquiformerV2), the training and validation split is handled automatically during loading. The remaining models use the `.xyz` format.
 
 All model implementations, training code, evaluation code, and checkpoints are located in the `models/` directory. Each model subdirectory contains: