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Write the dataset card of v1

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  1. README.md +92 -1
README.md CHANGED
@@ -10,6 +10,75 @@ tags:
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  - statistical-physics
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  size_categories:
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  - 100K<n<1M
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
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  # samplingdb reference sets
@@ -20,7 +89,8 @@ these sets. Each one comes from a long MCMC run on the target's own density, and
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  convergence and independence before it was published here.
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  You do not need to download anything by hand. samplingdb fetches a set the first time it is used,
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- checks its sha256, and keeps it in its cache.
 
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  ## Quick start
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@@ -62,6 +132,27 @@ path = hf_hub_download('h2o64/samplingdb', 'pt/dw4_6b739c6d.npy', repo_type='dat
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  x = np.load(path) # (n_samples, dim)
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  ```
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  ## Files
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  Each row of an array is one sample, flattened, in the coordinates the samplingdb target's
 
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  - statistical-physics
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  size_categories:
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  - 100K<n<1M
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+ configs:
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+ - config_name: dw4
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+ data_files:
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+ - split: test
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+ path: viewer/dw4_6b739c6d.parquet
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+ - config_name: lj13
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+ data_files:
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+ - split: test
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+ path: viewer/lj13_6a0a72c4.parquet
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+ - config_name: lj55
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+ data_files:
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+ - split: test
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+ path: viewer/lj55_dc3f6b7e.parquet
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+ - config_name: seeds
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+ data_files:
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+ - split: test
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+ path: viewer/seeds_f9a50f20.parquet
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+ - config_name: brownian
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+ data_files:
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+ - split: test
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+ path: viewer/brownian_45794097.parquet
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+ - config_name: lgcp
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+ data_files:
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+ - split: test
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+ path: viewer/lgcp_cea6d9a6.parquet
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+ - config_name: lgcp-whitened
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+ data_files:
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+ - split: test
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+ path: viewer/lgcp-whitened_30e98363.parquet
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+ - config_name: breast-cancer
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+ data_files:
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+ - split: test
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+ path: viewer/breast-cancer_543f5f94.parquet
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+ - config_name: german-credit
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+ data_files:
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+ - split: test
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+ path: viewer/german-credit_3cfdf175.parquet
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+ - config_name: ionosphere
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+ data_files:
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+ - split: test
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+ path: viewer/ionosphere_d00109c3.parquet
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+ - config_name: sonar
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+ data_files:
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+ - split: test
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+ path: viewer/sonar_52aa10ef.parquet
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+ - config_name: trialanine
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+ data_files:
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+ - split: test
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+ path: viewer/aaa-T310_e0bfbee3.parquet
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+ - config_name: hexaalanine
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+ data_files:
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+ - split: test
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+ path: viewer/aaaaaa-T310_08d2d916.parquet
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+ - config_name: aldp
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+ data_files:
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+ - split: test
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+ path: viewer/ace-a-nme-T300_54968005.parquet
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+ - config_name: ala4
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+ data_files:
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+ - split: test
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+ path: viewer/ace-aaa-nme-T300_cda31701.parquet
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+ - config_name: ka-ternary-T0.32
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+ data_files:
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+ - split: test
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+ path: viewer/ka-ternary-N44-T0.32_d50e8a3f.parquet
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+ - config_name: ka-ternary-T1.0
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+ data_files:
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+ - split: test
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+ path: viewer/ka-ternary-N44-T1.0_c0f9b3b8.parquet
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  ---
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  # samplingdb reference sets
 
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  convergence and independence before it was published here.
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  You do not need to download anything by hand. samplingdb fetches a set the first time it is used,
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+ checks its sha256, and keeps it in its cache. To look at a set first, open the dataset viewer above
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+ and pick the target in the subset menu.
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  ## Quick start
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  x = np.load(path) # (n_samples, dim)
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  ```
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+ ## Browsing, and loading with `datasets`
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+
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+ Each set also has a Parquet copy in `viewer/`, which is what the dataset viewer shows: one subset
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+ per target, named as in `samplingdb.build`, with one row per sample. The column `x` is the sample
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+ and `log_prob` is the samplingdb target's unnormalised log density at it, whose histogram the viewer
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+ draws above the column. For the particle systems, the peptides and the glass, `log_prob` is minus
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+ the energy in units of kT, so its histogram is the energy distribution, mirrored.
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+
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+ The same files load with the `datasets` library, under the split `test`:
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+
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+ ```python
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+ from datasets import load_dataset
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+
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+ lj55 = load_dataset('h2o64/samplingdb', 'lj55', split='test')
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+ rows = lj55.with_format('numpy')[:]
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+ x, log_prob = rows['x'], rows['log_prob'] # (100352, 165) and (100352,)
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+ ```
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+
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+ The `.npy` files are what samplingdb reads and what the tag pins; the Parquet copies hold the same
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+ rows.
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+
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  ## Files
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  Each row of an array is one sample, flattened, in the coordinates the samplingdb target's