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torch>=1.0,<=1.12.1 torch-sparse<=0.6.15 torch-geometric<=2.0.4 torch-cluster<=1.6.0 gt4sd>=1.0.0 gradio>=3.9 markdown-it-py>=2.1.0 mols2grid>=0.2.0 pandas>=1.0.0 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] terminator @ git+https://github.com/IBM/regression-transformer@gt4sd |