chemprop
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
How to download and setup chemprop
Open terminal and run command
git clone https://github.com/aamini/chemprop.git
git clone is used to create a copy or clone of chemprop repositories.
You pass git clone a repository URL. it supports a few different network protocols and corresponding URL formats.
Also you may download zip file with chemprop https://github.com/aamini/chemprop/archive/master.zip
Or simply clone chemprop with SSH
[email protected]:aamini/chemprop.git
If you have some problems with chemprop
You may open issue on chemprop support forum (system) here: https://github.com/aamini/chemprop/issuesSimilar to chemprop repositories
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