KPC-2 / OXA-48 Dataset, Pocket–Ligand Graphs and Baseline Model
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2025
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| _version_ | 1866901566271782912 |
|---|---|
| author | VENKATESH . G |
| author_facet | VENKATESH . G |
| contents | This deposition contains extracted binding pockets, ligand graphs, PyTorch Geometric dataset pairs, automated and manual activity label assignments, and training scripts for KPC-2 / OXA-48 inhibitor modeling. |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_17909704 |
| institution | Zenodo |
| language | |
| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | KPC-2 / OXA-48 Dataset, Pocket–Ligand Graphs and Baseline Model VENKATESH . G KPC-2 OXA-48 beta-lactamase inhibitors drug discovery pocket extraction PyTorch Geometric machine learning This deposition contains extracted binding pockets, ligand graphs, PyTorch Geometric dataset pairs, automated and manual activity label assignments, and training scripts for KPC-2 / OXA-48 inhibitor modeling. |
| title | KPC-2 / OXA-48 Dataset, Pocket–Ligand Graphs and Baseline Model |
| topic | KPC-2 OXA-48 beta-lactamase inhibitors drug discovery pocket extraction PyTorch Geometric machine learning |
| url | https://doi.org/10.5281/zenodo.17909704 |