Comments (5)
Fixed by PR45.
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The problem seems to be coming from vcclab.org which has gone dark. This service is used to estimate the water/octanol partition coefficient of the target cmpd. Any alternatives we should consider @tbereau ?
from auto_martini.
The Crippen method (implemented in RDKit) might be an option?
from auto_martini.
Sorry for the late reply. I think vcclab.org
is back on now. I wonder if the error shown has something to do with using poetry
than pip
(I was trying to move to poetry
, but find it a bit unstable).
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This problem still exists. Is there any good solution?
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