daniel-r-roe.bsky.social - Profile | ThreadSky | a Reddit-style client for Bluesky

In the Federal government, almost all new hires (including most promotions) have a “probationary” period. IT HAS NOTHING TO DO WITH POOR PERFORMANCE! Anyone who says otherwise is lying.

submitted 87 days ago • 0 comments

Aside from the widespread personal misery that cutting probationary employees from the NIH is going to cause, it’s also going to set crucial research back by months or even years. Research/science and health are inextricably linked. Can someone please stop this!?

submitted 93 days ago • 0 comments

This week has been the longest year ever 😩

submitted 109 days ago • 0 comments

Over half of my tweets deleted now, from nine hundred something down to 450. It’s really a shame what the platform turned into. Some quality content has been lost forever.

submitted 116 days ago • 0 comments

So I don’t use that other site anymore and haven’t for a long time now, but I’ve finally started purging and deleting all my old tweets. Apparently that’s the best way since if you just delete your account someone can take your old handle.

submitted 116 days ago • 0 comments

We have a new #tutorial posted online, this time for Gaussian-accelerated MD as implemented in NAMD. Article has been submitted to LiveCoMS, a great venue for such efforts. We welcome feedback! Yes, it's alanine dipeptide, but you have to start somewhere :) #compchem github.com/Lemkul-Lab/g...

submitted 117 days ago • 0 comments

“This is no time to engage in the luxury of cooling off or to take the tranquilizing drug of gradualism.” MLK’s “I Have a Dream” speech is full of incredible prose and ideas, and is well worth a reread today: www.npr.org/2010/01/18/1...

submitted 118 days ago • 0 comments

This is a worrisome time to be a Fed. All that I and my coworkers in the govt. want to do is our jobs to the best of our ability. Hopefully we will be allowed to do that over the next 4 years. 🤞

submitted 118 days ago • 0 comments

Are @zbmed.bsky.social aware of the negative reaction on social media to their just-announced contract with MDPI. There's a great many red flags they seem to have missed, e.g. deevybee.blogspot.com/2024/08/gues... deevybee.blogspot.com/2024/02/the-... + @[email protected]'s account below

submitted 149 days ago • 2 comments

Using SIRAH to coarse grain my glycosylayed antibody! Hooray for (1) tutorials that work, and (2) my first foray into CG! Can I join the #glycotime club?

submitted 166 days ago • 0 comments

Tired of how slow hierarchical clustering is? Tired of finding optimum k values for k-means? We present eQual to you: biorxiv.org/content/10.1... the last member of the #MDANCE family, it bridges the gap between k-means and HAC. Thanks to @lexinc.bsky.social and @daniel-r-roe.bsky.social!

submitted 164 days ago • 0 comments

No matter how experienced with computers I get, BIOS updates will always stress me out.

submitted 167 days ago • 1 comment

A great thread and an important read. All of the women scientists I know are extremely driven and talented, and often face barriers men simply don’t face. The scientific community as a whole will benefit if we can knock down these barriers and biases.

submitted 169 days ago • 0 comments

Calling all systems and computational biologists in search of a faculty position: We have Assistant and Associate Professor positions! 🚀 Pittsburgh is beautiful, and we are doing amazing science here. cfopitt.taleo.net/careersectio... cfopitt.taleo.net/careersectio... Please apply by Dec 2!

submitted 180 days ago • 0 comments

The internet is amazing. I wanted to get the original (afaik) periodic boundary conditions paper, which was published in a long-defunct German journal in 1912. After some googling I found it in an archive at Princeton and am using google translate to read it. So awesome!

submitted 170 days ago • 2 comments

We are looking for a #CompChem postdoc to implement MELD (Modeling Employing Limited Data) into the AMBER suite of programs and test new applications in integrative modeling. Work with @adrianroitberg.bsky.social and me at #UFChemistry! Apply here explore.jobs.ufl.edu/en-us/job/53...

submitted 174 days ago • 0 comments

It feels like the barrier to starting a paper is so high, but once you get started it can be a lot of fun. It sparks lots of questions like “Oh yeah, why did I do that?” and “wait, why did I think this plot made sense?”

submitted 173 days ago • 0 comments

I am excited to announce publication of our latest BindingDB update paper! academic.oup.com/nar/advance-... Please repost, as I am just getting started on BlueSky-- thanks!

submitted 177 days ago • 1 comment

Hard to go wrong with souvlaki.

submitted 180 days ago • 0 comments

Well this doesn’t seem right…#imagingfail

submitted 183 days ago • 1 comment

Just made my final post on that _other_ site, downloaded my archived data, and am getting ready to delete the account. Not much but it’s something.

submitted 185 days ago • 1 comment

It’s that time of year again when all the hip new cold viruses are going around and your kids make sure that you are among the first to experience them 😩

submitted 185 days ago • 0 comments

The Bluesky “starter pack” concept is a really awesome idea!

submitted 186 days ago • 0 comments

For anyone else hitting the “Invalid handle” issue, this helped me solve it!

submitted 187 days ago • 0 comments

Come be my colleague (pt. 3, yes it's true)! Another non-TT instructional faculty position in our brand new Discovery Space! An amazing opportunity for hands-on, experiential learning with undergrads. #chemsky #academicsky @chemjobber.bsky.social careers.pageuppeople.com/968/cw/en-us...

submitted 188 days ago • 0 comments

There’s nothing quite like the elation you feel when an idea you’ve coded up appears to work on the first try, followed by the suspicion that it can’t possibly be correct and there must be a bug, followed by worrying about every possible way it could fail. #myscientificprocess

submitted 190 days ago • 0 comments

Hi all! I’m Dan, a computational chemist and scientific software dev. I also love music, reading, video/TT gaming, anime, history, and my wife and 2 kiddos. It’s nice to be back on a (so far) positive social media site!

submitted 191 days ago • 0 comments

So far Bluesky is basically “Remember when twitter used to be good? Let’s do that again” and I’m here for it.

submitted 191 days ago • 0 comments