Releases: datamol-io/graphium 
  
  Releases · datamol-io/graphium
      
  2.4.5 
  
    
  
      
        19 Jan 15:54
       
  
    
    
    
    
      
  
      
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        📦 Uncategorized 
Converted text in SVG to path, so that it doesn't need a font
 
Copyright headers.
 
Updated readme graphium-train to newer version
 
Fix mup for the layers with AttentionLayerMup
 
MAJOR-BUG for node/edge predictions: Added ordered=True to to_mol
 
  
  
  
   
   
  
  2.4.4 
  
    
  
      
        21 Dec 16:56
       
  
    
    
    
    
      
  
      
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  2.4.1 
  
    
  
      
        19 Sep 02:12
       
  
    
    
    
    
      
  
      
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        📦 Uncategorized 
Improved logging
 
Baselines
 
  
  
  
   
   
  
  2.4.0 
  
    
  
      
        07 Sep 14:01
       
  
    
    
    
    
      
  
      
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        🐛 Fixes 
Fixed the CLI command definition and data module preparation
 
 
📦 Uncategorized 
Update test_ipu.yml
 
Pipeline integration + Virtual Nodes Edges bug fix
 
  
  
  
   
   
  
  2.3.6 
  
    
  
      
        01 Sep 11:40
       
  
    
    
    
    
      
  
      
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        🐛 Fixes 
Various updates to graphium
 
  
  
  
   
   
  
  2.3.5 
  
    
  
      
        31 Aug 12:26
       
  
    
    
    
    
      
  
      
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        📦 Uncategorized 
Fix strategy argument for trainer
 
Expose multiprocessing_context for dataloading
 
Samuelm/neurips large
 
Add dataloader_idx argument to callbacks
 
WIP: Various improvements to the CLI endpoints
 
Added ultralarge baselines
 
  
  
  
   
   
  
  2.3.4 
  
    
  
      
        26 Aug 14:33
       
  
    
    
    
    
      
  
      
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        📦 Uncategorized 
Fixed the CE or BCE to CE or MSE
 
  
  
  
   
   
  
  2.3.3 
  
    
  
      
        26 Aug 04:02
       
  
    
    
    
    
      
  
      
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        🐛 Fixes 
Fix isinstance check and broadened tests to include more Python versions
 
 
📦 Uncategorized 
 
  
  
   
   
  
  2.3.2 
  
    
  
      
        18 Aug 19:28
       
  
    
    
    
    
      
  
      
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        📦 Uncategorized 
Caching logic improvement
 
  
  
  
   
   
  
  2.3.1 
  
    
  
      
        18 Aug 05:19
       
  
    
    
    
    
      
  
      
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        🐛 Fixes 
Strategy defaults to 'auto'
 
 
📦 Uncategorized 
Adding unit test for finetuning from gnn
 
Disable wandb by default + complete integration tests
 
Simple ipu install
 
Updating the website