Different paths.

mila-iqia · Jun 11, 2024 · 77eccc4 · 77eccc4
1 parent e418df8
commit 77eccc4
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/experiment_analysis/sampling_analysis/diffusion_mace_ode_sampling_analysis.py b/experiment_analysis/sampling_analysis/diffusion_mace_ode_sampling_analysis.py
@@ -35,7 +35,9 @@ def get_interatomic_distances(cartesian_positions: torch.Tensor,
 plt.style.use(PLOT_STYLE_PATH)
 
 
-base_data_dir = Path("/Users/bruno/courtois/difface_ode/run1")
+# Some hardcoded paths and parameters. Change as needed!
+epoch = 30
+base_data_dir = Path("/Users/bruno/courtois/difface_ode/run7")
 position_samples_dir = base_data_dir / "diffusion_position_samples"
 energy_samples_dir = base_data_dir / "energy_samples"
 
@@ -46,8 +48,6 @@ def get_interatomic_distances(cartesian_positions: torch.Tensor,
 data_params = LammpsLoaderParameters(batch_size=64, max_atom=8)
 cache_dir = str(EXPERIMENT_ANALYSIS_DIR / "cache" / dataset_name)
 
-epoch = 5
-
 
 if __name__ == '__main__':