├── .gitignore ├── COPYING.txt ├── checkpoint └── readme.md ├── dataloader └── dataloader_case_nci_res_merge.py ├── datasets ├── .DS_Store ├── dude_files └── dude_pocket.zip ├── env └── rdkit.yml ├── inference ├── cube_collision_check.py └── inference_avoid_clash.py ├── model ├── Module.py ├── transformer_v1_res_fac2.py └── transformer_v1_res_mp1.py ├── readme.md ├── run.sh └── util ├── fragmol_frag_zyh.py └── pocket_code_all.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/stonewiseAIDrugDesign/Lingo3DMol/HEAD/.gitignore -------------------------------------------------------------------------------- /COPYING.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/stonewiseAIDrugDesign/Lingo3DMol/HEAD/COPYING.txt -------------------------------------------------------------------------------- /checkpoint/readme.md: 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