Delete small_molecules
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- small_molecules/ADP/ADP_v1.ckpt +0 -3
- small_molecules/ADP/ADP_v1.pt +0 -3
- small_molecules/ADP/ADP_v1_config.json +0 -16
- small_molecules/ADP/ADP_v2.ckpt +0 -3
- small_molecules/ADP/ADP_v2.pt +0 -3
- small_molecules/ADP/ADP_v2_config.json +0 -16
- small_molecules/ADP/ADP_v3.ckpt +0 -3
- small_molecules/ADP/ADP_v3.pt +0 -3
- small_molecules/ADP/ADP_v3_config.json +0 -16
- small_molecules/ATP/ATP_v1.ckpt +0 -3
- small_molecules/ATP/ATP_v1.pt +0 -3
- small_molecules/ATP/ATP_v1_config.json +0 -16
- small_molecules/ATP/ATP_v2.ckpt +0 -3
- small_molecules/ATP/ATP_v2.pt +0 -3
- small_molecules/ATP/ATP_v2_config.json +0 -16
- small_molecules/ATP/ATP_v3.ckpt +0 -3
- small_molecules/ATP/ATP_v3.pt +0 -3
- small_molecules/ATP/ATP_v3_config.json +0 -16
- small_molecules/CIT/CIT_v1.ckpt +0 -3
- small_molecules/CIT/CIT_v1.pt +0 -3
- small_molecules/CIT/CIT_v1_config.json +0 -16
- small_molecules/CIT/CIT_v2.ckpt +0 -3
- small_molecules/CIT/CIT_v2.pt +0 -3
- small_molecules/CIT/CIT_v2_config.json +0 -16
- small_molecules/CIT/CIT_v3.ckpt +0 -3
- small_molecules/CIT/CIT_v3.pt +0 -3
- small_molecules/CIT/CIT_v3_config.json +0 -16
- small_molecules/CLA/CLA_v1.ckpt +0 -3
- small_molecules/CLA/CLA_v1.pt +0 -3
- small_molecules/CLA/CLA_v1_config.json +0 -16
- small_molecules/CLA/CLA_v2.ckpt +0 -3
- small_molecules/CLA/CLA_v2.pt +0 -3
- small_molecules/CLA/CLA_v2_config.json +0 -16
- small_molecules/CLA/CLA_v3.ckpt +0 -3
- small_molecules/CLA/CLA_v3.pt +0 -3
- small_molecules/CLA/CLA_v3_config.json +0 -16
- small_molecules/FAD/FAD_v1.ckpt +0 -3
- small_molecules/FAD/FAD_v1.pt +0 -3
- small_molecules/FAD/FAD_v1_config.json +0 -16
- small_molecules/FAD/FAD_v2.ckpt +0 -3
- small_molecules/FAD/FAD_v2.pt +0 -3
- small_molecules/FAD/FAD_v2_config.json +0 -16
- small_molecules/FAD/FAD_v3.ckpt +0 -3
- small_molecules/FAD/FAD_v3.pt +0 -3
- small_molecules/FAD/FAD_v3_config.json +0 -16
- small_molecules/GDP/GDP_v1.ckpt +0 -3
- small_molecules/GDP/GDP_v1.pt +0 -3
- small_molecules/GDP/GDP_v1_config.json +0 -16
- small_molecules/GDP/GDP_v2.ckpt +0 -3
- small_molecules/GDP/GDP_v2.pt +0 -3
small_molecules/ADP/ADP_v1.ckpt
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small_molecules/ADP/ADP_v1.pt
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small_molecules/ADP/ADP_v1_config.json
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small_molecules/ADP/ADP_v2.ckpt
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small_molecules/ADP/ADP_v2.pt
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small_molecules/ADP/ADP_v2_config.json
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"k_neighbors": 8,
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"global_message_passing": true,
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"bottom_global_message_passing": false,
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"fragmentation_method": "PS_300",
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"model_type": "ClassifierModel",
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"pred_hidden_size": 64
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small_molecules/ADP/ADP_v3.ckpt
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small_molecules/ADP/ADP_v3.pt
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small_molecules/ADP/ADP_v3_config.json
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small_molecules/ATP/ATP_v1.ckpt
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small_molecules/ATP/ATP_v1.pt
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small_molecules/ATP/ATP_v1_config.json
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small_molecules/ATP/ATP_v2.ckpt
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small_molecules/ATP/ATP_v2.pt
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small_molecules/ATP/ATP_v2_config.json
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small_molecules/ATP/ATP_v3.ckpt
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small_molecules/ATP/ATP_v3_config.json
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small_molecules/CIT/CIT_v1.ckpt
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