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requirements-pyg.txt
0 → 100644
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requirements-test.txt
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requirements-torch.txt
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requirements.txt
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| Original line number | Diff line number | Diff line |
|---|---|---|
biopython==1.77
|
||
matminer==0.6.3
|
||
mdtraj==1.9.4
|
||
networkx==2.4
|
||
pillow==7.1.2
|
||
pyGPGO==0.4.0.dev1
|
||
pymatgen==2020.7.18
|
||
tensorflow==2.2.0
|
||
tensorflow-probability==0.10.1
|
||
xgboost==1.1.1 |
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