requirements.txt

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