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Data and model weights of PocketXMol

Data used to train/test PocketXMol and the model weights. It contains: Raw data for training (data_train_raw.tar.gz and the tar.gz files in raw_files.zip) Test data (data_test.tar.gz) Model weights (mo

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CreatorPeng, Xingang
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Published2025-12-03
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DOI10.5281/zenodo.17801271
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Downloads6,063
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Licensecc-by-4.0
File Size17.6 GB
Data TypeDataset
Published2025
Licensecc-by-4.0
Total Views1,672
Total Downloads6,063

Data used to train/test PocketXMol and the model weights.

It contains:

  1. Raw data for training (data_train_raw.tar.gz and the tar.gz files in raw_files.zip)
  2. Test data (data_test.tar.gz)
  3. Model weights (model_weights.tar.gz)
  4. The reduced, processed data for demonstration of training (data_train_processed.tar.gz)

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Data and model weights of PocketXMol (Full Dataset)17.6 GB
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ReadmeVia DOI record
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Files are hosted on the source repository. Click download to access the full dataset.

Peng, Xingang (2025). Data and model weights of PocketXMol. https://doi.org/10.5281/zenodo.17801271