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liuganghuggingface
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demodiff_downstream

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Graph Machine Learning

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molecular-design

in-context-learning

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liuganghuggingface commited on Oct 9

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8900e04

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verified ·

1 Parent(s): 62c4c28

Upload polymer_CO2_CH4/medium.csv

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polymer_CO2_CH4/medium.csv +10 -0

polymer_CO2_CH4/medium.csv ADDED Viewed

	@@ -0,0 +1,10 @@

+smiles,score
+*c1ccc(C(c2ccc(-c3nc4cc(C(c5ccc6oc(*)nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1,0.7314433862075307
+*OC(=O)Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)C2C=CC(*)=CC21,0.6838165473005009
+*c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)CCC5(C)c4cc5c(cc43)C(=O)N(*)C5=O)c3ccccc23)c2ccccc12,0.6170734098961714
+*Oc1cc2c(cc1O*)C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.6145545049859467
+*Oc1cc2c(cc1O*)C1(c3cc(C)ccc3-2)c2cc(C)ccc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.602662729670395
+*Oc1cc2c(cc1O*)C1(c3cc(C)c(C)cc3-2)c2cc(C)c(C)cc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.5838665990375116
+*Oc1cc2c(cc1O*)C1(CC2(C)C)CC(C)(C)c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.5798160051852259
+*Oc1cc2c(cc1O*)C1(c3ccccc3-c3cc4c(cc31)Oc1c(C#N)c(*)c(*)c(C#N)c1O4)c1cc(C)c(C)cc1-2,0.5713447127722835
+*c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N(*)C5=O)c3ccccc23)c2ccccc12,0.5379611370460227