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1. PubChem_DataMining_OXPHOS PubChem_DataMining_OXPHOS Public

   Data mining pipeline to compile OXPHOS-related assays from PubChem, characterize OXPHOS-active chemotypes by cheminformatics analyses, and train classifiers to predict OXPHOS inhibitors

   Perl 2

2. simplestats simplestats Public

   Forked from UW-Madison-ACI/simplestats

   Sandbox for collaboration with git at UW Software Carpentry Bootcamps

   Python

3. chembl_webresource_client chembl_webresource_client Public

   Forked from chembl/chembl_webresource_client

   Python client for accessing ChEMBL webservices.

   Python

4. informers informers Public

   baseline IBR methods and metrics evals for all IBRs (including non-baselines)

   Python 1

5. PCBA_downloads_oxphos PCBA_downloads_oxphos Public

   Pipeline using PubChem PUG and RDKit functionalities to compile and process compound screening data from PubChem. As example, pipeline is applied to acquire compound data from OXPHOS-related assays…

   Python

6. rdkit rdkit Public

   Forked from rdkit/rdkit

   The official sources for the RDKit library

   C++