version 0.0.3 release

Author: jonfunk21

README.md

@@ -37,6 +37,7 @@ Install a local version which picks up the latest changes using an editable inst
 
 ```bash
 # conda env create -n proteusAI 
+# conda activate proteusAI
 pip install -e . --find-links https://data.pyg.org/whl/torch-2.4.1+cpu.html
 ```
 

pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "proteusAI"
-version = "0.0.2"
+version = "0.0.3"
 requires-python = ">= 3.8"
 description = "ProteusAI is a python package designed for AI driven protein engineering."
 readme = "README.md"
@@ -35,7 +35,7 @@ dependencies = [
   "openmm",
   "umap-learn",
   "proteusAI",
-  "pdbfixer @ git+https://github.com/openmm/pdbfixer@1.9"
+  #"pdbfixer @ git+https://github.com/openmm/pdbfixer@1.9"
 ]
 
 [project.optional-dependencies]