ipd commited on
Commit
9a411b5
·
1 Parent(s): 281b9be

add pos-egnn

Browse files
models/fm4m.py CHANGED
@@ -31,7 +31,7 @@ sys.path.append("models/")
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  from models.selfies_ted.load import SELFIES as bart
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  from models.mhg_model import load as mhg
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  from models.smi_ted.smi_ted_light.load import load_smi_ted
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- from models.smi_ssed.load import load_smi_ssed
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  from models.pos_egnn.load import POSEGNN as pos
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  import mordred
 
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  from models.selfies_ted.load import SELFIES as bart
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  from models.mhg_model import load as mhg
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  from models.smi_ted.smi_ted_light.load import load_smi_ted
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+ #from models.smi_ssed.load import load_smi_ssed
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  from models.pos_egnn.load import POSEGNN as pos
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  import mordred
representation/bace_pos.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:2fd0f5386ea7e90452bd705edeba40c8846d6051697e065dc1978997e25b2522
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+ size 1405832
representation/esol_pos.pkl ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:3ffa26547bf12a04356e5646e6af7236436a513a71a56944d02f72395d0e8201
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+ size 994062