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chemistry
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New PROTACs dataset
Describe the problem
PROTACs are a class of therapeutics that flag target proteins to a cell's waste disposal system, instead of the traditional binding to targets. It has been very promising due to its ability to tackle undruggable targets. However, problems still exist, such as designing the PROTACs, measure the degradability, understand the mechanism. A recent paper https://www.biorxiv.org
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Issue Title: Adding support for color blinds
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Description: This is more of an improvement suggestion rather than a bug report. It is really hard for me -as a color blind- distinguish between
solidandliquidcolors. And, since the colors appear for a short amount of time (I don't know if it is a bug or an intended behavior) when you move the slider knob of the temperature slider
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Bug Description
There is a wrong input at Example Input Files at RMG User's Guide (https://react
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Right now, the GitHub builds for Windows are slow:
- it doesn't cache the third party or downloaded dependencies
- it doesn't use
ninjaso builds only use one (of two) cores
The GitHub action is at https://github.com/OpenChemistry/avogadrolibs/blob/master/.github/workflows/build_cmake.yml
If someone can work with Windows builds, I can help translate commands / scripts into the Gi
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