darrenjhsu
commited on
Commit
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Initial model commit for SARS-CoV-2 5R84
Browse filesThis view is limited to 50 files because it contains too many changes.
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- 5R83-K0G-to-5R84/RMSD2.5_rate.txt +1 -0
- 5R83-K0G-to-5R84/SMILES.txt +1 -0
- 5R83-K0G-to-5R84/rstring.txt +1 -0
- 5R83-K0G-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5R84-GWS-to-5R84/RMSD2.5_rate.txt +1 -0
- 5R84-GWS-to-5R84/SMILES.txt +1 -0
- 5R84-GWS-to-5R84/rstring.txt +1 -0
- 5R84-GWS-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RE4-SZY-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RE4-SZY-to-5R84/SMILES.txt +1 -0
- 5RE4-SZY-to-5R84/rstring.txt +1 -0
- 5RE4-SZY-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RGU-UGD-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RGU-UGD-to-5R84/SMILES.txt +1 -0
- 5RGU-UGD-to-5R84/rstring.txt +1 -0
- 5RGU-UGD-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RGV-UGG-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RGV-UGG-to-5R84/SMILES.txt +1 -0
- 5RGV-UGG-to-5R84/rstring.txt +1 -0
- 5RGV-UGG-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RGW-UGM-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RGW-UGM-to-5R84/SMILES.txt +1 -0
- 5RGW-UGM-to-5R84/rstring.txt +1 -0
- 5RGW-UGM-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RGX-UGP-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RGX-UGP-to-5R84/SMILES.txt +1 -0
- 5RGX-UGP-to-5R84/rstring.txt +1 -0
- 5RGX-UGP-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RGY-UGS-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RGY-UGS-to-5R84/SMILES.txt +1 -0
- 5RGY-UGS-to-5R84/rstring.txt +1 -0
- 5RGY-UGS-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RGZ-UH1-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RGZ-UH1-to-5R84/SMILES.txt +1 -0
- 5RGZ-UH1-to-5R84/rstring.txt +1 -0
- 5RGZ-UH1-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RH0-UH4-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RH0-UH4-to-5R84/SMILES.txt +1 -0
- 5RH0-UH4-to-5R84/rstring.txt +1 -0
- 5RH0-UH4-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RH1-UGV-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RH1-UGV-to-5R84/SMILES.txt +1 -0
- 5RH1-UGV-to-5R84/rstring.txt +1 -0
- 5RH1-UGV-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RH2-UH7-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RH2-UH7-to-5R84/SMILES.txt +1 -0
- 5RH2-UH7-to-5R84/rstring.txt +1 -0
- 5RH2-UH7-to-5R84/xgboost_200_6_0.2.json +0 -0
- 5RH3-UHA-to-5R84/RMSD2.5_rate.txt +1 -0
- 5RH3-UHA-to-5R84/SMILES.txt +1 -0
5R83-K0G-to-5R84/RMSD2.5_rate.txt
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0.08072715572715573
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5R83-K0G-to-5R84/SMILES.txt
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O=C(Nc1ccccc1)Nc1cccnc1
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5R83-K0G-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5R83-K0G-to-5R84/xgboost_200_6_0.2.json
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5R84-GWS-to-5R84/RMSD2.5_rate.txt
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0.20051480051480053
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5R84-GWS-to-5R84/SMILES.txt
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O=C(CC1CCCCC1)Nc1cccnc1
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5R84-GWS-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5R84-GWS-to-5R84/xgboost_200_6_0.2.json
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5RE4-SZY-to-5R84/RMSD2.5_rate.txt
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0.0832046332046332
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5RE4-SZY-to-5R84/SMILES.txt
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CC(=O)Nc1cnccc1C
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5RE4-SZY-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RE4-SZY-to-5R84/xgboost_200_6_0.2.json
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5RGU-UGD-to-5R84/RMSD2.5_rate.txt
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0.06138996138996139
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5RGU-UGD-to-5R84/SMILES.txt
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O=C(Cc1cncnc1)Nc1cccc(O[C@@H]2CC(=O)N2)c1
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5RGU-UGD-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAG F FVDRQTAQ
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5RGU-UGD-to-5R84/xgboost_200_6_0.2.json
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5RGV-UGG-to-5R84/RMSD2.5_rate.txt
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0.24086229086229086
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5RGV-UGG-to-5R84/SMILES.txt
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O=C(Cc1cncc2ccccc12)Nc1ccccc1
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5RGV-UGG-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RGV-UGG-to-5R84/xgboost_200_6_0.2.json
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5RGW-UGM-to-5R84/RMSD2.5_rate.txt
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0.20846203346203346
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5RGW-UGM-to-5R84/SMILES.txt
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N#Cc1cncc(CC(=O)Nc2cccnc2)c1
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5RGW-UGM-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RGW-UGM-to-5R84/xgboost_200_6_0.2.json
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5RGX-UGP-to-5R84/RMSD2.5_rate.txt
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0.2036702573695414
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5RGX-UGP-to-5R84/SMILES.txt
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Cc1ccncc1NC(=O)Cc1cccc(C#N)c1
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5RGX-UGP-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RGX-UGP-to-5R84/xgboost_200_6_0.2.json
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5RGY-UGS-to-5R84/RMSD2.5_rate.txt
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0.03931788931788932
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5RGY-UGS-to-5R84/SMILES.txt
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COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
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5RGY-UGS-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAG F FVDRQTAQ
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5RGY-UGS-to-5R84/xgboost_200_6_0.2.json
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5RGZ-UH1-to-5R84/RMSD2.5_rate.txt
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0.15688545688545688
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5RGZ-UH1-to-5R84/SMILES.txt
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N#Cc1cccc(CC(=O)Nc2cccnc2)c1
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5RGZ-UH1-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RGZ-UH1-to-5R84/xgboost_200_6_0.2.json
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5RH0-UH4-to-5R84/RMSD2.5_rate.txt
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0.14671814671814673
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5RH0-UH4-to-5R84/SMILES.txt
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Cc1ccc(NC(=O)Nc2cccnc2)s1
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5RH0-UH4-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RH0-UH4-to-5R84/xgboost_200_6_0.2.json
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5RH1-UGV-to-5R84/RMSD2.5_rate.txt
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0.19465894465894465
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5RH1-UGV-to-5R84/SMILES.txt
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O=C(Cc1ccc(Cl)s1)Nc1cccnc1
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5RH1-UGV-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RH1-UGV-to-5R84/xgboost_200_6_0.2.json
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5RH2-UH7-to-5R84/RMSD2.5_rate.txt
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0.21824324324324323
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5RH2-UH7-to-5R84/SMILES.txt
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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1
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5RH2-UH7-to-5R84/rstring.txt
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TTLN PRHVICTSEDMLNPNY Y FLNGSCGS YMHHMELPTGVHAGT F FVDRQTAQ
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5RH2-UH7-to-5R84/xgboost_200_6_0.2.json
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5RH3-UHA-to-5R84/RMSD2.5_rate.txt
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0.12667310167310167
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5RH3-UHA-to-5R84/SMILES.txt
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Cc1ccncc1NC(=O)[C@H](C)c1cccc(Cl)c1
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