requirements.txt

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
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