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Sam-Roggeman/SamRoggeman_Thesis_Dataset_full

sourceHugging Faceupdated 6mo agoView on Hugging Face
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README.md46 linesDownload Raw Back to root
1---2configs:3- config_name: default4  data_files:5  - split: train6    path: data/train-*7  - split: test8    path: data/test-*9  - split: validation10    path: data/validation-*11  - split: unseen_trajects12    path: data/unseen_trajects-*13dataset_info:14  features:15  - name: pdb_id16    dtype: string17  - name: dpp_class18    dtype: string19  - name: ligand_name20    dtype: string21  - name: binding_type22    dtype: string23  - name: coordinates24    list:25      list: float3226  - name: num_atoms27    dtype: int1628  - name: replica_id29    dtype: int830  splits:31  - name: train32    num_bytes: 43684669100633    num_examples: 100807434  - name: test35    num_bytes: 9362402418136    num_examples: 21604237  - name: validation38    num_bytes: 9361388180539    num_examples: 21602840  - name: unseen_trajects41    num_bytes: 27737246350442    num_examples: 64006443  download_size: 71871037872244  dataset_size: 90145706049645---46