Class balanced sampling #524
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* fix: use SMILES__description instead of SMILES__names__noun for mol. repr. sampling * fix: mol_repr_transl/transform.py w/o SMILES with H and with split col only * fix: exclude uniprot binding .. * fix: missing ! and wrong variable name in template * fix: missing ! in templates * fix: and rheadb and sort exclude_from_standard_tabular_text_templates * fix: RedDB templates and fully export to meta.yaml * fix: aminoacids templates var name * fix: polymer_data templates var name * fix: var dtypes * fix: name and id * fix: add rdkit_features to /exclude_from_standard_tabular_text_templates * fix: # missing in template var * fix: # missing in template var 2 * fix: fix dialogue template in compound_protein_compound_* * fix: QC templates 1 * update reddb * update zhu * add description of representation * orexin1_receptor_butkiewicz * smiles__description * molecule with SMILES * fix: QC templates 2 * fix: QC templates 3 * fix: QC templates 3 * fix: QC templates * fix: QC templates * fix: QC templates * fix: QC templates * add organism * make explicit * add representation name * add representation name * update standard templates * add representation name * add representation names * representation name use * smiles usage * must to * add representation name * Update data/kg/compound_protein_protein/meta.yaml Co-authored-by: Michael Pieler <36303596+MicPie@users.noreply.github.com> * Update data/tabular/freesolv/meta.yaml Co-authored-by: Michael Pieler <36303596+MicPie@users.noreply.github.com> * Update data/tabular/freesolv/transform.py Co-authored-by: Michael Pieler <36303596+MicPie@users.noreply.github.com> * Update data/tabular/freesolv/transform.py Co-authored-by: Michael Pieler <36303596+MicPie@users.noreply.github.com> * Update data/tabular/sr_p53_tox21/meta.yaml Co-authored-by: Michael Pieler <36303596+MicPie@users.noreply.github.com> * Update data/kg/compound_protein_protein/meta.yaml * Update data/kg/compound_protein_protein/meta.yaml * Update data/kg/compound_protein_protein/meta.yaml * Update data/tabular/freesolv/meta.yaml * Update data/tabular/sr_p53_tox21/meta.yaml * Update data/kg/compound_protein_compound_1/meta.yaml * Update data/kg/compound_protein_compound_1/meta.yaml * Update data/kg/compound_protein_compound_1/meta.yaml * Update data/kg/compound_protein_compound_1/meta.yaml * Update data/kg/compound_protein_compound_1/meta.yaml * Update data/kg/compound_protein_compound_3/meta.yaml * Update data/kg/compound_protein_compound_3/meta.yaml * Update data/kg/compound_protein_compound_3/meta.yaml * Update data/kg/compound_protein_compound_3/meta.yaml * Update data/kg/compound_protein_compound_3/meta.yaml * Update data/kg/compound_protein_go_term_1/meta.yaml * Update data/kg/compound_protein_go_term_1/meta.yaml * Update data/kg/compound_protein_go_term_2/meta.yaml * Update data/kg/compound_protein_go_term_2/meta.yaml * Update data/kg/compound_protein_go_term_3/meta.yaml * Update data/kg/compound_protein_go_term_3/meta.yaml * Update data/kg/compound_protein_go_term_4/meta.yaml * Update data/kg/compound_protein_go_term_4/meta.yaml * Update data/kg/compound_protein_pathway_disease_2/meta.yaml * Update data/kg/drug_protein_hpo_disease/meta.yaml * Update data/tabular/chemcaption_rdkit/meta.yaml * Update data/tabular/mona/meta.yaml * Update data/tabular/mona/transform.py --------- Co-authored-by: Michael Pieler <Michael.Pieler@Gmail.com> Co-authored-by: Kevin Maik Jablonka <kevin.jablonka@epfl.ch> Co-authored-by: Michael Pieler <36303596+MicPie@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
Co-authored-by: Kevin M Jablonka <32935233+kjappelbaum@users.noreply.github.com>
those changes are incorrect, the CTE and density are not there for all polymers
kjappelbaum
reviewed
Aug 10, 2024
kjappelbaum
approved these changes
Aug 10, 2024
kjappelbaum
reviewed
Aug 10, 2024
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