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Datasets:
Bindwell
/
binding-affinity-PL
like
3
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Bindwell
3
Tags:
binding-affinity
biology
chemistry
License:
mit
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binding-affinity-PL
2 contributors
History:
18 commits
trrt8
add new benchmark datasets
754b1c1
6 days ago
.gitattributes
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4.28 kB
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.gitignore
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README.md
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6 days ago
bindingdb-ic50.parquet
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convert to parquet
2 months ago
bindingdb-kd-filtered.parquet
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2 months ago
bindingdb-kd.parquet
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bindingdb-ki.parquet
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combine_data.py
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fix columns
2 months ago
davis-filtered.parquet
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2 months ago
davis.parquet
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2 months ago
glaser.parquet
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2 months ago
kiba.parquet
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2 months ago
pdbbind-2013-core.parquet
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pdbbind-2020-general.parquet
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pdbbind-2020-refined.parquet
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standardize_data.ipynb
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test.parquet
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added train/test/val splits
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test_1000_drugs.parquet
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test_25_targets_40_percent_similarity.parquet
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test_25_targets_60_percent_similarity.parquet
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test_25_targets_80_percent_similarity.parquet
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train.parquet
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train_test_split.py
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val.parquet
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