FEater dataset: A molecular fragment dataset to benchmark the robustness of 3D flexible object recognition

This dataset is associated with the work: Benchmarking the robustness of the correct identification of flexible 3D objects using common machine learning models # Original FEater-Single and FEater_Dual dataset. FEater_Single ├── TestSet_coord.h5 ├── TrainingSet_coord.h5 └── ValidationSet_coord.h5 FEater_Dual ├── TestSet_coord.h5 ├── TrainingSet_coord.h5 └── ValidationSet_coord.h5 # Non-redundant baseline dataset FEater_Baseline ├── TestSet_Dual.h5 ├── TestSet_Single.h5 ├── TrainingSet_Dual.h5 └── TrainingSet_Single.h5 # FEater-Single and FEater_Dual in different sample size FEater_Mini200 ├── Mini200_Dual.h5 └── Mini200_Single.h5 FEater_Mini400 ├── Mini400_Dual.h5 └── Mini400_Single.h5 FEater_Mini800 ├── Mini800_Dual.h5 └── Mini800_Single.h5 For further details of the usage, please visit the original GitHub repository: https://github.com/miemiemmmm/FEater