Commit [b40915]

Initial commit

Amanda-D Amanda-D 2025-04-19

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added .gitignore
added HomoAug/.DS_Store
added HomoAug/LICENSE.txt
added HomoAug/README.md
added HomoAug/bin/TMalign
added HomoAug/bin/esl-reformat
added HomoAug/bin/jackhmmer
added HomoAug/run_HomoAug.py
added HomoAug/utils/misc.py
added HomoAug/utils/ray_tools.py
added LICENSE
added README.md
added data/dict_mol.txt
added data/dict_pkt.txt
added drugclip.sh
added framework.png
added py_scripts/lmdb_utils.py
added py_scripts/write_dude_multi.py
added retrieval.sh
added test.sh
added unimol/__init__.py
added unimol/data/__init__.py
added unimol/data/add_2d_conformer_dataset.py
added unimol/data/affinity_dataset.py
added unimol/data/atom_type_dataset.py
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HomoAug/.DS_Store
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HomoAug/README.md Diff Switch to side-by-side view
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HomoAug/bin/TMalign
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HomoAug/bin/esl-reformat
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HomoAug/bin/jackhmmer
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HomoAug/utils/misc.py Diff Switch to side-by-side view
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HomoAug/utils/ray_tools.py Diff Switch to side-by-side view
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LICENSE Diff Switch to side-by-side view
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README.md Diff Switch to side-by-side view
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data/dict_mol.txt Diff Switch to side-by-side view
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data/dict_pkt.txt Diff Switch to side-by-side view
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drugclip.sh Diff Switch to side-by-side view
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framework.png
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py_scripts/lmdb_utils.py Diff Switch to side-by-side view
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py_scripts/write_dude_multi.py Diff Switch to side-by-side view
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retrieval.sh Diff Switch to side-by-side view
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test.sh Diff Switch to side-by-side view
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unimol/__init__.py Diff Switch to side-by-side view
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unimol/data/__init__.py Diff Switch to side-by-side view
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unimol/data/add_2d_conformer_dataset.py Diff Switch to side-by-side view
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unimol/data/affinity_dataset.py Diff Switch to side-by-side view
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unimol/data/atom_type_dataset.py Diff Switch to side-by-side view
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