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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit c1d813d3f0fec60ea6efe8a11e59d98bfdc1636f" |
files | dimorphite_dl.py rdconf.py rdkit_descriptors.py sdf_to_tab.py test-data/rdconf_output.sdf test-data/staurosporine.smi |
changeset | 2d051db1f561 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 4d0bfcf37bfbedafc7ff0672dfe452766ca8a606" |
files | dimorphite_dl.py rdkit_descriptors.py rdkit_descriptors.xml sdf_to_tab.py test-data/mol.pdb test-data/mol_pdb_charges.tab test-data/rdkit_descriptors_result1.tab test-data/rdkit_descriptors_subset.tab |
changeset | 58520ccba184 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0" |
files | rdkit_descriptors.xml test-data/ligand.tab test-data/rdkit_descriptors_result1.tab |
changeset | 287e8e0d1e3d |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4" |
files | sdf_to_tab.py |
changeset | 5f35d8bd62a0 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 09b22cceacb34dd4c6c1b42890f93232df128208" |
files | sdf_to_tab.py test-data/CID_3037.tab |
changeset | fcc88ab4f1d3 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06" |
files | dimorphite_dl.py site_substructures.smarts test-data/mols.smi |
changeset | 8922aa062403 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 714e984db6ba1198cacf4dcf325320a5889fa02c" |
files | sdf_to_tab.py test-data/CID_3037.tab test-data/ligand.sdf test-data/ligand.tab test-data/rdkit_descriptors_result1.csv test-data/sucos_cluster.sdf |
changeset | 81233a9053f5 |
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user | bgruening |
description | planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 3372cca3d07562b643b8152d489dcbd2325acf4a |
files | rdkit_descriptors.py rdkit_descriptors.xml test-data/rdkit_descriptors_result1.tab |
changeset | 7b3e535f905b |
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user | bgruening |
description | planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit e47eeb5a5744d0989b0225fd9602bce912a5e517 |
files | rdkit_descriptors.xml |
changeset | 054d7b0de5c1 |
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user | bgruening |
description | planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit ed9b6859de648aa5f7cde483732f5df20aaff90e |
files | rdkit_descriptors.py rdkit_descriptors.xml test-data/CID_3037.sdf test-data/rdkit_descriptors_result1.tab |