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Repository get_pubchem
Name: get_pubchem
Owner: bgruening
Synopsis: Access data from the PubChem database
Access data from the PubChem database
  * get_pubchem_as_smiles downloads all compounds and converts them to the SMILES format
  * get_pubchem_assays downloads PubChem assays and concatenates them
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/data_source/get_pubchem
Link to this repository: https://toolshed.g2.bx.psu.edu/view/bgruening/get_pubchem/4d966d5bdd17
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/get_pubchem
Type: unrestricted
Revision: 1:4d966d5bdd17
This revision can be installed: True
Times cloned / installed: 306

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
as canonical SMILES 0.3 16.01
as table 0.3 16.01

Categories
Computational chemistry - Tools for use in computational chemistry