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Datasets:
QPromaQ
/
Docking_project
like
0
License:
mit
Dataset card
Files
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xet
Community
main
Docking_project
/
portable_rdock_pipeline
/
scripts
141 kB
1 contributor
History:
1 commit
QPromaQ
Reset repository and upload final project (part 30)
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._build_portable_bundle.sh
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._download_example_smiles.py
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._find_pdb_ligand_candidates.py
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._prepare_pdb_ligand_dataset.py
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._run_strategy_benchmark_server.sh
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._slurm_prepare_500k_dataset.sh
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._slurm_regressor_ablation_500k.sh
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._slurm_smoke_500k_ablation.sh
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._slurm_strategy_benchmark_500k.sh
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build_portable_bundle.sh
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about 2 months ago
download_example_smiles.py
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2.86 kB
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find_pdb_ligand_candidates.py
4.17 kB
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prepare_pdb_ligand_dataset.py
86.9 kB
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run_strategy_benchmark_server.sh
2.54 kB
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about 2 months ago
slurm_prepare_500k_dataset.sh
987 Bytes
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about 2 months ago
slurm_regressor_ablation_500k.sh
873 Bytes
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about 2 months ago
slurm_smoke_500k_ablation.sh
810 Bytes
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about 2 months ago
slurm_strategy_benchmark_500k.sh
1.16 kB
Reset repository and upload final project (part 30)
about 2 months ago