Removed molvs from pyproject and pip requirements files.

mcloughlin2 · mcloughlin2 · commit 3e4c23f2e679 · 2026-04-01T12:51:59.000-07:00
diff --git a/install-ampl/pyproject.toml b/install-ampl/pyproject.toml
@@ -34,7 +34,6 @@ dependencies = [
     "tensorflow-cpu==2.14.0; python_version >= '3.10' and python_version < '3.12'",
 
     # atomsci-ampl deps [need to be added to atomsci-ampl]
-    "molvs",
     "xgboost",
     "umap-learn",
     "imbalanced-learn",
diff --git a/pip/cpu_requirements.txt b/pip/cpu_requirements.txt
@@ -93,7 +93,6 @@ maestrowf
 
 deepchem==2.8
 rdkit==2024.3.5
-MolVS
 mordred
 
 # ==========================
diff --git a/pip/cuda_requirements.txt b/pip/cuda_requirements.txt
@@ -39,7 +39,6 @@ imblearn
 # pycairo
 
 maestrowf
-MolVS
 mordred
 
 pytest
diff --git a/pip/docker_requirements.txt b/pip/docker_requirements.txt
@@ -36,7 +36,6 @@ bravado
 # pycairo
 
 maestrowf
-MolVS
 mordred
 pytest
 ipykernel
diff --git a/pip/mchip_requirements.txt b/pip/mchip_requirements.txt
@@ -38,7 +38,6 @@ imblearn
 # pycairo
 
 maestrowf
-MolVS
 mordred
 
 pytest
diff --git a/pip/readthedocs_requirements.txt b/pip/readthedocs_requirements.txt
@@ -4,7 +4,6 @@ hyperopt
 IPython
 joblib
 matplotlib
-molvs
 numpy
 pandas
 pygments
diff --git a/pip/rocm_requirements.txt b/pip/rocm_requirements.txt
@@ -27,7 +27,6 @@ imblearn
 
 
 maestrowf
-MolVS
 mordred
 
 pytest

-Original file line number
+Diff line change
 maestrowf
 -MolVS
 mordred
 pytest