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To reproduce:
1. In simulation “Sol_Tab_1” of attached file : Compounds/Test -> Solubility table -> “Edit Table” -> change solubility at pH 5 -> Run simulation
2. "Commit to Building Block" (chang…
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Hi everybody,
According to the Pk-Sim manual the gain in solubility by diferences in pH is described by the Henderson-Hasselbalch equation.
I assume it refers to:
LogS = LogSo + Log (1 + 10^(pKb-…
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**when i use this model to predict molecular melting point,i met a question that i can not solve yet**
when i run this code:
the problem:
AttributeError: module 'deepchem.models' has no attribute…
luwry updated
6 years ago
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* Values can be edited by hand
* Values can be loaded from file
similar to Table Formulation UI
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Currently the problem would be only if X argument depends on one of the ODE variables.
Situations where it depends on Time only (e.g. `X(t)=X0+exp(-Time)`) should be accepted
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The kernel appears to have died. It will restart automatically.
`loader = dc.data.CSVLoader(
tasks=["MTP"], smiles_field="SMILES",
featurizer=featurizer)
dataset = loader.featurize(dat…
luwry updated
6 years ago
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Path to the solubility table is not properly cloned.
[Test4Clone.zip](https://github.com/Open-Systems-Pharmacology/PK-Sim/files/1954496/Test4Clone.zip)
E.g in the project attached: clone simulatio…
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Hi, I am trying to run the train_ogan, but getting the following. Any suggestions on getting over with it? Thanks!
Traceback (most recent call last):
File "", line 1, in
runfile('C:/…
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Hi to everybody,
Excuse me, what rational is behind the default value of 1000 for Solubility gain per charge?
Thank you in advance!!
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To celebrate [World Malaria Day 2018](https://www.worldmalariaday2018.org/) we are on this page highlighting what Open Source Malaria (OSM) contributors are doing to fight this terrible disease.
We…