update

requirements.txt

@@ -6,9 +6,9 @@ torch-scatter
 torch-spline-conv
 torch-sparse
 torch-geometric
-torchvision==0.13.1
+torchvision==0.14.1
 torchaudio==0.12.1
-gt4sd>=1.1.6
+gt4sd>=1.3.1
 diffusers==0.6.0
 molgx>=0.22.0a1
 molecule_generation
@@ -18,11 +18,13 @@ ipykernel
 httpcore==0.15
 pymatgen>=2022.11.7
 PyTDC==0.3.7
-gradio>=3.9
+gradio==3.12.0
 markdown-it-py>=2.1.0
 mols2grid==1.1.1
+numpy==1.23.5
 pandas>=1.0.0,<2.0.0
 pydantic<2.0.0
+scikit-learn==1.2.1
 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
@@ -32,4 +34,4 @@ 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
 reinvent_models @ git+https://github.com/GT4SD/reinvent_models@v0.0.1
-h11==0.13.0
+h11==0.13.0