update

model_cards/regression_transformer_examples.csv

@@ -7,3 +7,4 @@ Molecules: Qed,Generate,<qed>0.717|[MASK][MASK][MASK][MASK][MASK][C][Branch2_1][
 Molecules: Solubility,Generate,ClC(Cl)C(Cl)Cl,5,Sample,1.3,40,True,0.4,<esol>:0.754,,,
 Molecules: Rop_catalyst,Predict,<conv>[MASK][MASK][MASK][MASK]|<pdi>[MASK][MASK][MASK][MASK][MASK]|<molwt>[MASK][MASK][MASK][MASK][MASK]|[C][Branch1_2][C][=O][O][C@@Hexpl][Branch1_1][C][C][C][Branch1_2][C][=O][O][C@Hexpl][Ring1][Branch2_2][C].[C][C][C][Branch2_1][Ring1][Ring1][N][C][Branch1_1][=C][N][C][=C][C][=C][Branch1_1][Ring1][O][C][C][=C][Ring1][Branch2_1][=S][C][C][C][Ring2][Ring1][C],1,Greedy,1,0,False,,,,,
 Molecules: Rop_catalyst,Generate,C1(=O)O[C@@H](C)C(=O)O[C@H]1C.C2CC(NC(NC1=CC=C(OC)C=C1)=S)CCC2,10,Sample,1.3,50,True,0.5,"<pdi>:3.490, <conv>:0.567, <molwt>:3.567",,,C1(=O)O[C@@H](C)C(=O)O[C@H]1C
+Molecules: Block_copolymer,Generate,<[A];CO[R];[A].R -> [B].R><[B];CC(CO[Q])(C(OCCN(C)C1=CC=CC=C1)=O)COC([R])=O;[B].Q -> [B].R>,5,Sample,1.0,70,True,0.3,"<Dispersity>:1.3, <MnGPC>:24336",,,

requirements.txt

@@ -8,7 +8,7 @@ torch-sparse
 torch-geometric
 torchvision==0.13.1
 torchaudio==0.12.1
-gt4sd>=1.1.6
+gt4sd>=1.1.8
 diffusers==0.6.0
 molgx>=0.22.0a1
 molecule_generation