wip: update reqs

requirements.txt

@@ -1,5 +1,23 @@
+torch>=1.0,<=1.12.1+cpu; sys_platform == "linux"
+torch>=1.0,<=1.12.1; sys_platform != "linux"
+torch-sparse<=0.6.15+cpu; sys_platform == 'linux'
+torch-sparse<=0.6.15; sys_platform != 'linux'
+torch-geometric<=2.0.4+cpu; sys_platform == 'linux'
+torch-geometric<=2.0.4; sys_platform != 'linux'
+torch-cluster<=1.6.0+cpu; sys_platform == 'linux'
+torch-cluster<=1.6.0; sys_platform != 'linux'
 gt4sd>=1.0.0
 gradio>=3.9
 markdown-it-py>=2.1.0
 mols2grid>=0.2.0
-pandas>=1.0.0
+pandas>=1.0.0
+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
+terminator @ git+https://github.com/IBM/regression-transformer@gt4sd