add requirements
Browse files- requirements.txt +29 -0
requirements.txt
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| 1 |
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absl_py==2.1.0
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| 2 |
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AutoDockTools_py3==1.5.7.post1+10.g9d37a13
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| 3 |
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easydict==1.13
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| 4 |
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fire==0.6.0
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| 5 |
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gradio==4.36.1
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gradio_molecule3d==0.0.5
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imageio==2.34.1
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| 8 |
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lmdb==1.4.1
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| 9 |
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matplotlib==3.4.3
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| 10 |
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meeko==0.1.dev3
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| 11 |
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numpy==1.23.1
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| 12 |
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openbabel==3.1.1.1
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| 13 |
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overrides==7.7.0
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| 14 |
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Pillow==9.2.0
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| 15 |
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Pillow==10.3.0
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| 16 |
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posecheck==1.1
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| 17 |
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posecheck.egg==info
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| 18 |
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py3Dmol==2.1.0
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| 19 |
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pytorch_lightning==2.0.8
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| 20 |
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PyYAML==6.0.1
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| 21 |
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PyYAML==6.0.1
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| 22 |
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rdkit==2023.9.5
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| 23 |
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scipy==1.9.3
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| 24 |
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torch==1.12.0
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| 25 |
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torch_geometric==2.1.0.post1
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| 26 |
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torch_scatter==2.0.9
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| 27 |
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torchdiffeq==0.2.3
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| 28 |
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tqdm==4.64.0
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| 29 |
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vina==1.2.2
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