wip: update reqs

requirements.txt

@@ -6,17 +6,17 @@ torch-scatter
 torch-spline-conv
 torch-sparse
 torch-geometric
-# torchvision==0.13.1
-# torchaudio==0.12.1
+torchvision==0.13.1
+torchaudio==0.12.1
 gt4sd>=1.0.0
-# molgx>=0.22.0a1
-# molecule_generation
-# nglview
-# PyTDC==0.3.7
-# gradio>=3.9
-# markdown-it-py>=2.1.0
-# mols2grid>=0.2.0
-# pandas>=1.0.0
+molgx>=0.22.0a1
+molecule_generation
+nglview
+PyTDC==0.3.7
+gradio>=3.9
+markdown-it-py>=2.1.0
+mols2grid>=0.2.0
+pandas>=1.0.0
 # terminator @ git+https://github.com/IBM/regression-transformer@gt4sd
 # guacamol_baselines @ git+https://github.com/GT4SD/guacamol_baselines.git@v0.0.2
 # moses @ git+https://github.com/GT4SD/moses.git@v0.1.0