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6e1813883a9a +- name: rcx_tk + owner: recetox + tool_panel_section_label: RECETOX + revisions: + - 54401f9d1a30 diff --git a/umsa_tool_list.yaml.lock b/umsa_tool_list.yaml.lock index 537db09..e18f41b 100644 --- a/umsa_tool_list.yaml.lock +++ b/umsa_tool_list.yaml.lock @@ -1,4 +1,10 @@ +tool_shed_url: toolshed.g2.bx.psu.edu tools: +- name: collapse_collections + owner: nml + revisions: + - 90981f86000f + tool_panel_section_label: Collection Operations - name: compose_text_param owner: iuc revisions: @@ -7,13 +13,9 @@ tools: - name: split_file_to_collection owner: bgruening revisions: + - 2dae863c8f42 - 6cbe2f30c2d7 tool_panel_section_label: Collection Operations -- name: collapse_collections - owner: nml - revisions: - - 90981f86000f - tool_panel_section_label: Collection Operations - name: scatterplot owner: devteam revisions: @@ -92,7 +94,7 @@ tools: - name: xtb_molecular_optimization owner: recetox revisions: - - cba7123c2741 + - 6e1ef071fffc - d5633eaf3552 tool_panel_section_label: RECETOX - name: recetox_xmsannotator_advanced @@ -104,8 +106,8 @@ tools: - name: waveica owner: recetox revisions: - - 1a2aeb8137bf - 6480c6d5fa36 + - bf32ae95a06f tool_panel_section_label: RECETOX - name: ramclustr owner: recetox @@ -123,13 +125,17 @@ tools: owner: recetox revisions: - 0b86600b715e - - e5fcba090b10 + - 6cd2a9e6ac49 tool_panel_section_label: RECETOX - name: spec2vec_training owner: recetox revisions: - 9d917de87cca - - e1e22ada831e + tool_panel_section_label: RECETOX +- name: spec2vec_similarity + owner: recetox + revisions: + - 721a4e666191 tool_panel_section_label: RECETOX - name: riassigner owner: recetox @@ -192,12 +198,13 @@ tools: owner: bgruening revisions: - 4e3b2049a4d3 + - f70b83b730ac tool_panel_section_label: ChemicalToolBox - name: msconvert owner: galaxyp revisions: - - 545054b15d7c - 6153e8ada1ee + - ab6c14374bc0 tool_panel_section_label: ChemicalToolBox - name: smina owner: earlhaminst @@ -304,48 +311,48 @@ tools: owner: bgruening revisions: - 50ca8845e7f5 - - b2569e22b40c + - 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- 7672039a0bb0 + - 75ee9c410951 - d3b48303045b tool_panel_section_label: ChemicalToolBox - name: openbabel_multi_obgrep @@ -356,32 +363,32 @@ tools: - name: openbabel_genprop owner: bgruening revisions: + - 50eaae9df8d3 - a72ae2711a97 - - b249bf9be0d1 tool_panel_section_label: ChemicalToolBox - name: openbabel_change_title owner: bgruening revisions: - - 01ab890bf0ad - 3ecaa9634126 + - a638d8d13bb3 tool_panel_section_label: ChemicalToolBox - name: openbabel_obgrep owner: bgruening revisions: - - 274193d6c443 - 78640d0127ce + - 985ab0acd514 tool_panel_section_label: ChemicalToolBox - name: openbabel_remsmall owner: bgruening revisions: + - 81836d586797 - aebc671bae78 - - d7f0ca1f2669 tool_panel_section_label: ChemicalToolBox - name: prepare_ligands_for_docking owner: bgruening revisions: - - 5486f7a2b0cb - de4c80d17527 + - fac2c28b4c55 tool_panel_section_label: ChemicalToolBox - name: biomd_neqgamma owner: chemteam @@ -632,8 +639,8 @@ tools: - name: openbabel_structure_distance_finder owner: bgruening revisions: - 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