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Using python 3.7 with the current git version, doing the following:
```python
from pypath import main
pa = main.PyPath(10090)
pa.load_omnipath()
```
throws a TypeError Exception:
```
---------…
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Hi,
I'm importing the script from examples/pdbbind/pdbbind_datasets.py and when I run:
dataset, tasks = pdbbind_datasets.featurize_pdbbind(feat="grid", subset="full")
I am getting the followi…
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When encoding to `json`, `json5` or `yaml` the order of properties in the encoded content is dependent up the order that properties are defined. For machine readability that desn't matter but for huma…
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Hi All,
I have used "test_platforms_gist.py" on my AMBER-MD results (40ns/.nc and .prmtop files)
and in the text output file just voxel and x y z have non-zero values and it prints out zero for
o…
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**Major design decision**:
Currently, the charge method is handled on a "by system" basis; that is, as an argument to `createSystem`. So, all the components of a `System` are charged via the same m…
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Following a support email "I totally understand what "antagonist" and "agonist" mean in the "activity" column. However, I am not able to uncover the meaning of "up_or_down". Could you help me on that?…
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Hello!
Could you create a slim subset for Drosophila?
Attaching file with 'name' 'ID' - 151 terms. Let me know if you need something different.
subsetdef: goslim_drosophila "Drosophila GO slim…
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POCL test was suggested in #5.
This problem was seen with POCL (1.2 and the master after it), and also Intel R2016/2017, both for ADADELTA not Solis-Wets.
```
root@e46e27a50b64:/# clinfo | grep Lo…
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From discussions with @ppxasjsm it is apparent that BioSimSpace is failing to obtain good mappings and alignments for ligands with markedly different binding poses. An example set of Cathespin ligand…
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Nginx requires `MANAGER_HOST` parameter, which is missing from config file.
I tried adding `MANAGER_HOST=127.0.0.1`, but then it raised another issue
```2019/11/29 10:02:21 [emerg] 1#1: host not…