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Build error
Build error
-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 | |
diffusers==0.6.0 | |
ipykernel | |
httpcore==0.15 | |
nglview | |
PyTDC==0.3.7 | |
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 | |
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 | |
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 | |
reinvent_models @ git+https://github.com/GT4SD/reinvent_models@v0.0.1 | |
pydantic<2.0.0 | |
h11==0.13.0 |