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- Improve quality of both molecule and reaction images
- @tdudgeon has a solution
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This workshop assumes that all are consistently using `pipenv` in order to manage Python dependencies, however, there were multiple participants who were instead required to use conda.
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# Issue Type
- Bug report
# Molecule and Ansible details
```
ansible [core 2.14.1]
config file = None
configured module search path = ['$HOME/.ansible/plugins/modules', '/usr/share/ans…
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From the sporotrichosis community I got a request which molecules would be great to screen against sporotrichosis too. I would suggest the fenarimols as a first choice as we have plenty synthesized. W…
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- Calculate inertia tensor (3x3 matrix) from atomic coordinates & masses
- Visualise principal axes (eigenvectors of inertia tensor), e.g. as dotted lines through the center of mass?
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In XDS (VERSION Jun 30, 2024 BUILT=20240723) option `STRONG_PIXEL` set in xia2 for small molecule processing mode is obsolete and needs to be renamed to `SIGNAL_PIXEL`.
```
***** XDS ***** (VERSIO…
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[CellCNN](https://www.nature.com/articles/ncomms14825) is a powerful new technique to discover rare cell populations that correlate with outcomes variables (eg., Response). It would be powerful to inc…
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Could be a cool way of integrating both MAD and the website (besides whatever we end up doing in the Downloads page). What do you think @danielpastor97 ? I could talk to Guillaume about this.
Lp0lp updated
2 weeks ago
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moleculer-channels
redis adapter， After processing the message for a period of time, The increase in Redis data leads to an increase in server memory,
How to set up an automatic message recycl…
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It seems that if we use a newer Python to be able to use a newer Ansible/Molecule, the Python module stops working.