Gina El Nesr commited on
Commit
b98cbee
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1 Parent(s): 889a4a9

convert to npy

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README.md CHANGED
@@ -27,7 +27,7 @@ This HF datasets hosts the files for the RelaxDB data. More information on analy
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  - `relaxdb/af2_pdbs`: contains all of the af2 models used for input and evaluation in `.pdb` format
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  - `relaxdb/split_files`: contains split files for the provided datasets.
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- - `data/json`: contains `.json` files describing the proteins for RelaxDB and RelaxDB-CPMG datasets. A`.xlsx` file with metadata of the curated proteins can be found on GitHub.
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  - `data/probs`: contains saved frequencies from mBMRB-Train, stored for calculating dummy baselines.
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  ## Usage
@@ -42,11 +42,11 @@ df = dataset["relaxdb"].to_pandas()
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  ```
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  This dataset includes protein structure files (.pdb) stored separately from the tabular data.
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- Each dataset row contains a column (e.g. pdb_file) with the relative path to the corresponding PDB file, for example `data/af2_pdbs/4267.pdb`
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  ## Metadata
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- Column descriptions of each protein entry in `data/relaxdb_data.csv`:
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  - `id`: entry identifier
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  - `dataset`: relaxdb or relaxdb-cpmg
 
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  - `relaxdb/af2_pdbs`: contains all of the af2 models used for input and evaluation in `.pdb` format
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  - `relaxdb/split_files`: contains split files for the provided datasets.
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+ - `data/metadata`: contains `.npy` files describing the proteins for RelaxDB and RelaxDB-CPMG datasets. A`.xlsx` file with metadata of the curated proteins can be found on GitHub.
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  - `data/probs`: contains saved frequencies from mBMRB-Train, stored for calculating dummy baselines.
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  ## Usage
 
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  ```
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  This dataset includes protein structure files (.pdb) stored separately from the tabular data.
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+ Each dataset row contains a column (e.g. pdb_file) with the relative path to the corresponding PDB file, for example `relaxdb/af2_pdbs/4267.pdb`
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  ## Metadata
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+ Column descriptions of each protein entry in `relaxdb/relaxdb_data.csv`:
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  - `id`: entry identifier
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  - `dataset`: relaxdb or relaxdb-cpmg
data/json/RelaxDB_133x_22jan2025.json DELETED
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data/json/RelaxDB_CPMG_22jan2025.json DELETED
@@ -1 +0,0 @@
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seq?":{"0":1.0,"1":1.0,"2":1.0,"3":1.0,"4":1.0,"5":1.0,"6":1.0,"7":1.0,"8":1.0,"9":null},"Data Origin":{"0":null,"1":"Rex labels were assigned > 2 Hz from 850 Hz data (see BLAC_CPMG.xlsx)","2":"Data private correspondence from EZE. 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