Thank you to Frank Delagio (IBBR / U Maryland) for the original NMRdraw that has been used for decades and Johnthan Helmus (https://t.co/uylpILLGYi) for the nmrglue framework that powers all the visualization and reads NMR data formats.
Here is a lightweight 1D/2D/3D NMR spectrum viewer for nmrPipe formated datasets. This is especially useful for Mac users who have missed nmrDraw for a long time. https://t.co/VEXeh1QHBo #NMR#NMRchat#BioNMR
@DidiKieran Given the versions of JAX and PyTorch used plus references to sm_90, I would estimate that development of this software started around late 2023 to early 2024 on H100 GPUs? I have Proteina working on a Blackwell RTX6000 now -- took a lot of JAX patching.
@Miss_Allison_D@TheFrankDomenic I go across town from York-Durham Line to Jane street and that promotion has been a life saver for me giving me an extra hour of sleep and cutting commuting time in half versus the 401. But the promotion is over for me and the thought of paying $26.55 one way at 3:30 pm is nuts.
@rafapinilla92@pentamorfico Congratulations! A few years ago, I participated in a metabolomics study NADH + others were monitored during shigatoxigenic phage infection.
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@MartinPacesa Thank you for the tips and making it so straightforward to install the software considering all the modules that have to work together. Time to fire up that A100 again :)
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@drGregBowman@HannesStaerk My concern is with implementation... torch 1.x + cuda 11 that might be due to the openfold framework. Has *anyone* been able to run this software on a typical updated linux platform (like you get on a cloud service) with cuda 12 and torch 2?