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Dear ginan team,
I install the ginan on ubuntu22.04 according to the README.md file and using the ubuntu22.sh script. Everything is good during the installing and complining process, but I got "NAN f…
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## Background
### User Story or Problem Statement
* As a VAMC editor, i want a satisfying and efficient experience updating my COVID status.
* As a Veteran, caregiver, or Facility visitor, i wa…
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Thanks for your great work!
I have a question about the evaluation procedure on the DUD-E dataset. The training was done using pocket and ligand data, but the DUD-E dataset only provides the whole …
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roachtest.schemachange/mixed-versions [failed](https://teamcity.cockroachdb.com/buildConfiguration/Cockroach_Nightlies_RoachtestNightlyGceBazel/16105854?buildTab=log) with [artifacts](https://teamcity…
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## Description
Had an internal design review meeting on 5/19 and discussed what updates are still needed for this.
[Link to Sketch design](https://sketch.com/s/891d33ae-152d-471c-ab5d-9aedf89cf6f…
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The default value of **exhaustiveness** when running Autodock Vina is 8.
At least in some cases, using a lower value of exhaustiveness may lead to similarly good results while reducing substantial…
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Hi Team,
Thanks for this amazing tool.
In the output sdf file, there are many conformers of a same molecule. I just want to ask if the "best" molecule is the first one?
Best regards,
Hie…
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[GROMACS tutorial](http://www.mdtutorials.com/gmx/complex/01_pdb2gmx.html )
[GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design](https://doi.org/10.1021/acs.jcim.2c0004…
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