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