Merge pull request #34 from bernt-matthias/sync/environment

sync environment.yml

Author: bernt-matthias

environment.yml

@@ -3,21 +3,16 @@ channels:
   - conda-forge
   - defaults
 dependencies:
-  # dev requirements
-  - conda-build=3.21.8
-  - conda=4.12.0
-  - pip=22.0.4
-  - pytest=7.1.1
   # application requirements
   - jsonpickle=2.1
   - matplotlib=3.5.1
-  - numpy=1.19.5
+  - numpy=1.22.0
   - pandas=1.4.2
   - rdkit=2022.03.1
   - scikit-learn=1.0.2
+  - keras=2.9.0
+  - tensorflow-gpu=2.9.3
+  - wandb=0.12.0
+  - umap-learn=0.1.1
   - seaborn=0.12.2
-  - tensorflow-gpu=2.6.0
-  - wandb=0.12
-  - umap=0.1.1
-  - pip:
-    - git+https://github.com/soulios/chemprop.git@1d73523e49aa28a90b74edc04aaf45d7e124e338
+  - chemprop=1.7.1