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geobfn

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Files changed (10) hide show
  1. geobfn_drugs_2024-04-30-08:21:42/best_atm_stable_model/model.safetensors +3 -0
  2. geobfn_drugs_2024-04-30-08:21:42/best_mol_stable_model/model.safetensors +3 -0
  3. geobfn_drugs_2024-04-30-08:21:42/best_val_loss_model/model.safetensors +3 -0
  4. geobfn_drugs_2024-04-30-08:21:42/config.yaml +51 -0
  5. geobfn_drugs_2024-04-30-08:21:42/new/custom_checkpoint_0.pkl +3 -0
  6. geobfn_drugs_2024-04-30-08:21:42/new/epoch.txt +1 -0
  7. geobfn_drugs_2024-04-30-08:21:42/new/grad_queue.pkl +3 -0
  8. geobfn_drugs_2024-04-30-08:21:42/new/model.safetensors +3 -0
  9. geobfn_drugs_2024-04-30-08:21:42/new/optimizer.bin +3 -0
  10. geobfn_drugs_2024-04-30-08:21:42/new/random_states_0.pkl +3 -0
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+ "dataset": {
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+ "name": "qm9_drugs",
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+ "smiles_file": "../MolBFN/data/qm9/smiles.pkl",
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