├── .gitignore ├── README.md ├── data ├── bace │ └── raw │ │ └── bace.csv ├── bbbp │ └── raw │ │ └── BBBP.csv ├── clintox │ └── raw │ │ └── clintox.csv ├── hiv │ └── raw │ │ └── HIV.csv ├── muv │ └── raw │ │ └── muv.csv ├── sider │ └── raw │ │ └── sider.csv ├── tox21 │ └── raw │ │ ├── TOX21_README │ │ └── tox21.csv └── toxcast │ └── raw │ ├── TOXCAST_README │ └── toxcast_data.csv ├── img └── fig3_main_arch.jpg ├── loader.py ├── main.py ├── model.py ├── splitters.py └── util.py /.gitignore: -------------------------------------------------------------------------------- 1 | __pycache__/ -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/kimsu55/TopExpert/HEAD/README.md -------------------------------------------------------------------------------- /data/bace/raw/bace.csv: 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