Merge branch 'master' of https://github.com/ppdebreuck/modnet

gbrunin · gbrunin · commit 98e5fd2274f1 · 2023-08-21T09:37:42.000+02:00
diff --git a/modnet/__init__.py b/modnet/__init__.py
@@ -1 +1 @@
-__version__ = "0.4.0"
+__version__ = "0.4.1"
diff --git a/modnet/hyper_opt/fit_genetic.py b/modnet/hyper_opt/fit_genetic.py
@@ -658,7 +658,7 @@ def run(
 
         else:
             ensemble = []
-            for m in models[ranking[:refit]]:
+            for m in models[ranking[:10]]:
                 ensemble += m.models
             self.best_model = EnsembleMODNetModel(models=ensemble)
 
diff --git a/requirements.txt b/requirements.txt
@@ -1,7 +1,7 @@
 tensorflow==2.11.0
 tensorflow-probability==0.19.0
 pandas==1.5.2
-pymatgen==2023.1.30
+pymatgen==2023.7.20
 matminer==0.8.0
 numpy>=1.20
 scikit-learn==1.2.0
