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Hello,
This one is a dataset for nuclear receptors.
Only experimentally tested molecules.
For each target, molecules are separated into agonists and antagonists.
Very high quality dataset, hand …
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Hi I keep reporting errors while running tasks
ERROR:root:Sending download flush
ERROR:root:Join download
Process Process-2:
Traceback (most recent call last):
File "/public/home/b20233050453/m…
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Hi,
I am running ForceBalance to generate custom parameters for a specific torsion and for reasons not completely clear to me, it seems to take a really long time (2 or more days).
As I bumped…
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Hi,
I started a job on a small druggable protein using the -n 50 option. How many batches will be generated? The job has been running for 4 h and reached almost 500 batches.
BW/Evert
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This involves code in 1.9.0rc2 released onto the dev server hobo.
File "/usr/bin/evaluate.py", line 794, in
pickle_result = main_score(dockDir, pdbloc, evaluateDir, blastnfilterDir, challen…
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As part of the signaling workshop, Helen and I have compiled a list of annotations to review wrt GO:0060070 'canonical Wnt signaling pathway'.
There is a Google spreadsheet that lists 8 different s…
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Dear members of the bespokeFit community,
I need your help/advice. I have a problem processing multiple ligands (ligand sets in parallel) with BespokeFit. Jobs often fail, usually at the Optimizati…
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This might be true for a few different examples, but if I try:
```
asap-docking cross-docking --ligands input/lig_0.smi --pdb-file input/NP_722463.1_lig_0.pdb --target ZIKV-NS2B-NS3pro --cache-dir p…
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Current plan is to create an new API that will allow for both connected and disconnected nodes (i.e. relative and absolute results) to be passed in directly to arsenic.
To be discussed further over…
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I'm very interested in your job.
I downloaded the source code, but I can not download the pre-trained unconditional VAEs model.
The file does not exist. Could you please upload it again?
Or, I wo…