merge load_model_preds() into load_df_wbm_with_preds() and pass through **kwargs to pandas reader

fix test_load_preds.py and test_plots.py

Author: janosh

.gitignore

@@ -20,7 +20,6 @@ job-logs/
 
 # slurm logs
 *slurm-*.log
-models/**/*.csv
 
 # temporary ignore rules
 paper

models/bowsr/join_bowsr_results.py

@@ -35,7 +35,7 @@
 
 
 # %%
-df_bowsr = pd.concat(dfs.values()).round(6)
+df_bowsr = pd.concat(dfs.values()).round(4)
 
 
 # %% compare against WBM formation energy targets to make sure we got sensible results

models/cgcnn/test_cgcnn.py

@@ -110,7 +110,7 @@
 )
 
 slurm_job_id = os.environ.get("SLURM_JOB_ID", "debug")
-df_preds.to_csv(f"{out_dir}/{job_name}-preds-{slurm_job_id}.csv", index=False)
+df_preds.round(4).to_csv(f"{out_dir}/{job_name}-preds-{slurm_job_id}.csv", index=False)
 pred_col = f"{target_col}_pred_ens"
 assert pred_col in df, f"{pred_col=} not in {list(df)}"
 table = wandb.Table(dataframe=df_preds[[target_col, pred_col]].reset_index())