Update environment.yaml

environment.yaml

@@ -1,32 +1,32 @@
-name: mole
-channels:
-  - pytorch
-  - nvidia
-  - rmg
-  - conda-forge
-  - rdkit
-  - defaults
-dependencies:
-  - python=3.10
-  - pytorch=2.9.1
-  - pytorch-cuda=11.8
-  - rdkit=2022.3.3
-  - numpy=1.24.3
-  - pip
-  - pip:
-    - xgboost==1.6.2
-    - pandas>=2.1
-    - PyYAML==6.0.1
-    - torch_geometric==2.5.0
-    - openpyxl==3.1.5
-    - pubchempy==1.0.4
-    - matplotlib==3.7.5
-    - seaborn==0.13.2
-    - tqdm==4.67.1
-    - umap-learn==0.5.5
-    - huggingface_hub==0.36.0
-    - tensorflow==2.13.0
-    - array_record==0.4.0
-    - tfds-nightly==4.9.2.dev202308090034
-    - mole_package==0.1.2
-    - scikit-learn==1.7.2
+name: virtual-human-chc-mole
+channels:
+  - pytorch
+  - nvidia
+  - rmg
+  - conda-forge
+  - rdkit
+  - defaults
+dependencies:
+  - python=3.10
+  - pytorch=2.9.1
+  - pytorch-cuda=11.8
+  - rdkit=2022.3.3
+  - numpy=1.24.3
+  - pip
+  - pip:
+    - xgboost==1.6.2
+    - pandas>=2.1
+    - PyYAML==6.0.1
+    - torch_geometric==2.5.0
+    - openpyxl==3.1.5
+    - pubchempy==1.0.4
+    - matplotlib==3.7.5
+    - seaborn==0.13.2
+    - tqdm==4.67.1
+    - umap-learn==0.5.5
+    - huggingface_hub==0.36.0
+    - tensorflow==2.13.0
+    - array_record==0.4.0
+    - tfds-nightly==4.9.2.dev202308090034
+    - mole_package==0.1.2
+    - scikit-learn==1.7.2