Josh Vermaas

3 posts

Josh Vermaas

Josh Vermaas

@JoshVermaas

VMD guru, lignin fanatic. Otherwise cool cucumber.

Katılım Temmuz 2012
8 Takip Edilen47 Takipçiler
Josh Vermaas
Josh Vermaas@JoshVermaas·
@HighSpeedMode It was a cool talk. :D I think it would be an interesting alternative to CuPy *everything*, and leave the memory on the GPU at all times. Performancewise, alot of problems go away with GPUs, since now you have something inherently parallel with potentially faster RAM.
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Irfan Alibay
Irfan Alibay@HighSpeedMode·
And it's now available! Lots of fun stuff in this release, if you're at #ACSFall2021 I'll be giving a COMP talk tomorrow at 5.40 pm EST on MDAnalysis 2.0 and the future. If you're attending a better talk (can't blame you 😜), I'll be in the virtual sci-mix Row 6 tomorrow.
MDAnalysis @mdanalysis.bsky.social@mdanalysis

We are excited to release MDAnalysis 2.0.0! Updates include built-in interoperability with @rdkit and @openmm, parallelizable analysis with serializable Universes, a new Results class, new analyses, formats, & many bug fixes mdanalysis.org/2021/08/22/rel…

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