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-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 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/[email protected] # moses @ git+https://github.com/GT4SD/[email protected] # paccmann_chemistry @ git+https://github.com/PaccMann/[email protected] # paccmann_generator @ git+https://github.com/PaccMann/[email protected] # paccmann_gp @ git+https://github.com/PaccMann/[email protected] # paccmann_omics @ git+https://github.com/PaccMann/[email protected] # paccmann_predictor @ git+https://github.com/PaccMann/paccmann_predictor@sarscov2 # pytoda @ git+https://github.com/PaccMann/[email protected] # reinvent_models @ git+https://github.com/GT4SD/[email protected] |