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lingyuzeng
2025-08-17 22:18:45 +08:00
commit 093d8efd3b
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data/molecules_sample.csv Normal file
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smiles,selfies,qed,sa_score,active,count,weight
CCO,,0.45,2.1,true,10,46.07
c1ccccc1,,0.76,3.5,false,5,78.11
CCN(CC)CC,,0.62,2.8,true,8,101.19
1 smiles selfies qed sa_score active count weight
2 CCO 0.45 2.1 true 10 46.07
3 c1ccccc1 0.76 3.5 false 5 78.11
4 CCN(CC)CC 0.62 2.8 true 8 101.19