The dataset viewer is not available for this dataset.
Cannot get the config names for the dataset.
Error code:   ConfigNamesError
Exception:    DataFilesNotFoundError
Message:      No (supported) data files found in nuriamimbreropelegri/generated_sequences
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/dataset/config_names.py", line 67, in compute_config_names_response
                  get_dataset_config_names(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/inspect.py", line 347, in get_dataset_config_names
                  dataset_module = dataset_module_factory(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/load.py", line 1865, in dataset_module_factory
                  raise e1 from None
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/load.py", line 1846, in dataset_module_factory
                  return HubDatasetModuleFactoryWithoutScript(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/load.py", line 1240, in get_module
                  module_name, default_builder_kwargs = infer_module_for_data_files(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/load.py", line 592, in infer_module_for_data_files
                  raise DataFilesNotFoundError("No (supported) data files found" + (f" in {path}" if path else ""))
              datasets.exceptions.DataFilesNotFoundError: No (supported) data files found in nuriamimbreropelegri/generated_sequences

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2 DATASETS:

  1. Generated sequences: generated_sequences/generated_dataset_corrected_index.fasta
  2. Natural sequences:generated_sequences/natural_dataset.fasta

RELATE REACTIONS AND SEQUENCES:

In the natural sequences dataset, sequences can be related with the reaction used to generate them. The sequence tag indicates the SMILE of the sequence. In the generated sequences dataset, sequences can be related with the reaction used to generate them:

  • Example of one sequence tag of the generated dataset: holdout_9_reac_generated/holdout_0_15.743307701421433_497: This belongs to the reaction with index number 9 (index numbers and reactions are stored in the folder generated_sequences/index_reaction_numbers. PD: number 0 indicates the first sequence generated for this reaction, number 15.743307701421433 indicates perplexity and number 497 indicates the lenght.

ADDITIONAL INFORMATION ABOUT THE DATASET GENERATION:

Information of the datasets generated with the model for 4 different groups of reactions:

  • First_generation_seqeuences_and_reactions
  1. MOST REPEATED REACTIONS: 100 sequences are generated for each of the 20 most repeated reactions in the training set (2,000 sequences in total)
  2. LESS REPEATED REACTIONS: 100 sequences are generated for each of the 98 less repeated reactions in the training set (9,800 sequences in total)
  3. MIDDLE REPEATED REACTIONS: 100 sequences are generated for each of the 40 middle repeated reactions in the training set (4,000 sequences in total) (the middle is calculated using the median)
  4. HOLDOUT DATASET REACTIONS: 100 sequences are generated for each of the 40 reactions never seen in the training set (4,000 sequences in total)

All those generated sequences are then filtered by pLDDT value > 70 (calculated using ESMFold)

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