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 |