Kevin Boyd

Scientific software developer at Nvidia. Contributor to #GROMACS and other scientific packages. Former PhD student in the May Lab at UConn.

[Kevin Boyd @Scal44]

@sciqst Thanks! Most of our initial benchmarks come from chembl, particularly the blog post plots that scan performance over molecule size.

We can definitely do more real world examples at scale!

[Kevin Boyd @Scal44]

Really excited to release nvMolKit! GPU drop-in replacements for RDKit functions, free and open source!

[NVIDIA Healthcare @NVIDIAHealth]

🔥nvMolKit landed today🔥

Morgan Fingerprinting, Tanimoto/Cosine similarity and MMFF geometry optimization and conformer generation on GPU, 10-3000x faster. Screen millions of SMILES before coffee & upsize your QSAR pipelines.

🚀 Which dataset operation will you accelerate first?

#GPU #cheminformatics #drugdiscovery

[Emma Wager @emmawage]

Saying goodbye today to the city that made us a family

Thankful for 4.5 amazing years, plus 2020. Leaving our hearts here, as is tradition 🧡🧡

[james hawkins @james406]

nobody will remember:
- your salary
- how “busy you were”
- how many hours you worked

people will remember:
- if you hopped on a quick call
- when you hopped on a quick call
- how many quick calls you hopped on
- how you made them feel when you hopped on a quick call

[JD Tamucci @jdtamucci]

Our new paper: "Peptide Power: Mechanistic Insights into the Effect of Mitochondria-Targeted Tetrapeptides on Membrane Electrostatics from Molecular Simulations | Molecular Pharmaceutics"
https://t.co/IX1Pn44pji

[Folding@home @foldingathome]

🚨Announcement🚨
The FAH Consortium will now be supporting the MDTraj library! Maintenance will transition to consortium labs – We want to ensure that the library, integral to analysis of our datasets, receives continued support in the coming years. https://t.co/tfszQoJin2

[Adam Singer @AdamSinger]

imagine not having at least 4

[Niall Deacon @nialldeacon]

Very rare to see this level of tayloring nowadays, even on the wealthy. So let's talk about some of the reasons why it's great. 🧵 1!/n!

[Kevin Boyd @Scal44]

I'm going to ACS this year, anyone else around?

[Kevin Boyd @Scal44]

Yup, needed to change my FSA contribution out of cycle so we got hitched

[Emma Wager @emmawage]

Qualifying life event 💕🥂

[American Museum of Natural History @AMNH]

Who needs a blue check when you have a BLUE WHALE?

[Dan Hurley @dhurley15]

1

[Erik Lindahl - eriklindahl.bsky.social @eriklindahl]

Are you around at #bps2023 and interested in PhD/postdoc opportunities to work on molecular simulations? We have a number of openings in the next month, covering both Gromacs, ML force fields, MSMs and trajectory data mining. Send me a DM, or email [email protected]

[naomi (forgetful functor) @fixedpointfae]

language maintainers should make better use of undefined behaviour

do some funny business!!! install a rootkit!!!! wipe ~/.ssh!!!! register the user's git email for newsletters!!!!!

your language spec literally gives u carte blanche and you're out here writing error messages!!!

[Randall Munroe @xkcd]

Code Lifespan https://t.co/6sNOmesHxY

[Kevin Boyd @Scal44]

@FunFactStephen @emmawage Am I the only one who's seen 2012?

[matt godbolt is mostly on bsky these days @mattgodbolt]

Compiler Explorer now supports some CUDA code execution on a real GPU: https://t.co/1OHAUxgSVv - let me know what issues you find :) and if you have a better example I can tweet on the @CompileExplore account too!

[Kevin Boyd @Scal44]

@foonathan @seanbax @StephanTLavavej That would be fine, but your explanation is contrary to the explanation given for the removal of the post, and contrary to STL's continued replies to this thread.

[Kevin Boyd @Scal44]

@StephanTLavavej @lichray @seanbax The mod opinions on this topic are clearly not aligned with a lot of the r/cpp community. Who benefits from this level of nitpicking? There isn't enough traffic on r/cpp to justify gatekeeping like this.

[Sean Baxter @seanbax]

Circle is being censored from the C++ reddit. I built a C++ compiler from scratch. I'm documenting my work on extensions that are aimed at keeping it from going extinct. But a mod who works for a commercial vendor is now pulling down posts. This is terrible for free discourse.