Richard Gowers richardjgowers

## cdk_example.ipynb

      
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                richardjgowers
                / cdk_example.ipynb
            
            
              Created
              July 18, 2023 16:59
            
              
                CDK2 example
              
          
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## lomap_radial_with_openfe.ipynb

      
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                richardjgowers
                / lomap_radial_with_openfe.ipynb
            
            
              Created
              May 31, 2023 08:28
            
              
                Create a radial network using OpenFE and Lomap Atom Mapper
              
          
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## zarr.ipynb

      
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                richardjgowers
                / zarr.ipynb
            
            
              Created
              July 16, 2022 18:15
            
              
                zarr prototype
              
          
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## openmm_to_rdkit.ipynb

      
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                richardjgowers
                / openmm_to_rdkit.ipynb
            
            
              Created
              May 24, 2022 17:23
            
          
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## readingXYZ.ipynb

      
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                richardjgowers
                / readingXYZ.ipynb
            
            
              Last active
              July 8, 2019 14:30
            
          
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## custom_attrs.ipynb

      
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                richardjgowers
                / custom_attrs.ipynb
            
            
              Created
              November 26, 2018 02:49
            
              
                Custom TopologyAttrs in MDAnalysis
              
          
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## timing-2.ipynb

      
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                richardjgowers
                / timing-2.ipynb
            
            
              Created
              November 17, 2018 13:46
            
              
                Timing distance searching in MDAnalysis and BioPython
              
          
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## timing-2.ipynb

      
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                richardjgowers
                / timing-2.ipynb
            
            
              Created
              November 17, 2018 13:46
            
              
                Timing distance searching in MDAnalysis and BioPython
              
          
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## implicit_all.ipynb

      
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                richardjgowers
                / implicit_all.ipynb
            
            
              Created
              October 12, 2018 14:30
            
              
                For scipy issue 3168
              
          
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## uniq.ipynb

      
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                richardjgowers
                / uniq.ipynb
            
            
              Created
              June 24, 2018 20:21
            
              
                Unique v2
              
          
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