Add Drug-Target Interaction dataset#100
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* Add `uris` field for identifiers * Linting * update valdation * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * feat: fix typo --------- Co-authored-by: Matthew Evans <git@ml-evs.science> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Michael Pieler <Michael.Pieler@Gmail.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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…ranch fix: add `main` branch for submodule
This reverts commit 0f766e5.
* Add `uris` field for identifiers * Linting * update valdation * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * feat: fix typo --------- Co-authored-by: Matthew Evans <git@ml-evs.science> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Michael Pieler <Michael.Pieler@Gmail.com>
…ript feat: add cluster conda environment script
kjappelbaum
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Mar 15, 2023
kjappelbaum
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Mar 15, 2023
…com/strubeyj/chemnlp into Add-Drug-Target-Interaction-dataset
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…beyj/chemnlp into Add-Drug-Target-Interaction-dataset
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Adding the Drug-Target Interaction dataset from https://tdcommons.ai/multi_pred_tasks/dti/. The task is to predict binding affinity given the target amino acid/compound SMILES string.