wip: update reqs

README.md

@@ -7,7 +7,8 @@ sdk: gradio
 sdk_version: 3.9.1
 app_file: app.py
 pinned: false
-python_version: 3.8.9
+python_version: 3.8.13
+pypi_version: 20.2.4
 ---
 
 Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference

requirements.txt

@@ -1,29 +1,29 @@
 -f https://download.pytorch.org/whl/cpu/torch_stable.html
 -f https://data.pyg.org/whl/torch-1.12.1+cpu.html
-pip==20.2.4
+# pip==20.2.4
 torch==1.12.1
 torch-scatter
 torch-spline-conv
 torch-sparse
 torch-geometric
-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
-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
-paccmann_chemistry @ git+https://github.com/PaccMann/paccmann_chemistry@0.0.4
-paccmann_generator @ git+https://github.com/PaccMann/paccmann_generator@0.0.2
-paccmann_gp @ git+https://github.com/PaccMann/paccmann_gp@0.1.1
-paccmann_omics @ git+https://github.com/PaccMann/paccmann_omics@0.0.1.1
-paccmann_predictor @ git+https://github.com/PaccMann/paccmann_predictor@sarscov2
-pytoda @ git+https://github.com/PaccMann/paccmann_datasets@0.1.1
-reinvent_models @ git+https://github.com/GT4SD/reinvent_models@v0.0.1
+# 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
+# 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
+# paccmann_chemistry @ git+https://github.com/PaccMann/paccmann_chemistry@0.0.4
+# paccmann_generator @ git+https://github.com/PaccMann/paccmann_generator@0.0.2
+# paccmann_gp @ git+https://github.com/PaccMann/paccmann_gp@0.1.1
+# paccmann_omics @ git+https://github.com/PaccMann/paccmann_omics@0.0.1.1
+# paccmann_predictor @ git+https://github.com/PaccMann/paccmann_predictor@sarscov2
+# pytoda @ git+https://github.com/PaccMann/paccmann_datasets@0.1.1
+# reinvent_models @ git+https://github.com/GT4SD/reinvent_models@v0.0.1