Sonja Topf commited on
Commit
0d7dfdb
·
1 Parent(s): 8af5cc2

renamed model file

Browse files
checkpoints/best_chemprop_model.pt DELETED
@@ -1,3 +0,0 @@
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- version https://git-lfs.github.com/spec/v1
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- oid sha256:ad0ce975384e5c0aec213af7171a4a290bbf0aa4070d74c891ae9d01af3fbe75
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- size 2844412
 
 
 
 
checkpoints/{best.pt → model.pt} RENAMED
File without changes
predict.py CHANGED
@@ -46,7 +46,7 @@ def predict(smiles_list):
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  command = [
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  "chemprop", "predict",
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  "--test-path", "data/smiles.csv",
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- "--model-path", "checkpoints/best.pt",
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  "--smiles-columns", "smiles",
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  "--preds-path", "data/preds.csv"
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  ]
 
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  command = [
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  "chemprop", "predict",
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  "--test-path", "data/smiles.csv",
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+ "--model-path", "checkpoints/model.pt",
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  "--smiles-columns", "smiles",
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  "--preds-path", "data/preds.csv"
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  ]