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siver_john

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I mean the passenger train from Lebanon, TN to Nashville, TN is quite busy. I rode it over a decade ago and it was quite used and my partner rides it now and it is much the same. If it still ran at night like it did back then, I'd probably take it into downtown (and go downtown more often) for events. I don't believe the train left the station a long time ago, we just simply shifted it off the tracks.

Biased: Was a researcher in this field...

For MD, specifically the type talked about here, we aren't taking in all the quantum effects, and that is known. Crystalizing molecules, especially large either dynamic proteins or ones in lipids is hard. Crystalizing during transitory states is orders of magnitude more difficult. MD allows us to visualize those transitory states and was used, for example, to observe the unfolding of the spike protein in Sars-Cov2 to assist in designing mRNA vaccines, because the important amino acids could be observed.

There is a lot of times where it is good enough, outpaces current experimental techniques, etc that it is the tool for the job. But it is not perfect and very rarely can stand completely on its own, in say drug discovery or other fields.

Depends on how deep you want to go. The pioneering work in this field is the "The multiscale coarse-graining method." series of papers kicked off by Noid. Who is still a person to pay attention to in this field.

I also believe the work of Frank Noe is someone to watch for in the ML potential space for proteins.

I'm also always happy to talk about CG.

Amazing article on Molecular dynamics, in the infinite number of things they could add is a small segment on coarse graining. Though I'm biased (and have been thinking about writing one myself).

Granted wished this had been around when I started my journey instead of having to delve into things like the Amber manual... (which I will grant is wonderful for its information but the organization isn't as convenient).

Went to a show in Nashville with some friends, I think last year. And drones were definitely incorporated in (interestingly showing Star Wars and then US military assets), but it was done in tandem with the fireworks. Which as a distraction during transitional elements does seem like a good use for them.

Honestly I think the biggest threat is also fireworks NIMBYism, people don't like the loud sounds disturbing their lives, their pets, etc combined with the general pressure of bigger and better exacerbating those problems.

Einsum in Depth 2 years ago

God I love einsum so much. I discovered it in grad school and it made my life so much nicer, definitely recommend learning it, you can do some wicked powerful stuff. (One of the first things I asked one of the NVIDIA guys when they were showing off cuPy a few years back was whether it had einsum.)

I am a computational biophysicist turned generalist, I enjoy solving the weird problems everyone hates. Undocumented code on a system built from decades old software where it's held up by toothpicks? My jam! Need me to build a jet engine from duct tape, super glue, and balsa wood? Let's go! From being in academia I've worked on large and diverse teams and from being a contractor I've been both part of smaller teams and left to my own devices, I excel no matter what.

  Location: Nashville, TN

  Remote: Yes

  Willing to relocate: No

  Technologies: React, Python, NodeJS, Postgres, SQLAlchemy, Flask, Numba, CUDA, Go, Bash, Scala, Amber, AmberTools, Schrodinger Suite, PyMol, Tensorflow, Neural Networks, Physics Informed Neural Networks, SQL, AWS, Docker, Linux

  Résumé/CV: https://biophysvertex.com/Jonathon_Ferrell_Resume.pdf

  Email: jbferrell [at] biophysvertex [dot] com
Open to contract and full time employment.

Here I'll bite:

Didn't fill existing positions for monitoring pandemic diseases arising in China that were put in place by Bush then strengthened by Obama, allowing for a slower response to what would become covid[1].

Huge corporate tax cuts that lead to stock buy backs, which enriched the wealthy while doing little to nothing below (buying stocks back and raising stock value generally does not help the average/low income individual beyond maybe their 401k).[2]

[1]https://www.theatlantic.com/politics/archive/2020/06/how-whi...

[2] For just the tax information later, there are plenty of articles about stock buybacks at that time if you don't trust the org. https://itep.org/one-legacy-of-the-trump-tax-law-big-tax-bre...

From my friends who are on ozempic, yes it has literally done just that. Along with the fact because they are driven to eat less they, in general are less snacky (and thus eat less chips) and tend to avoid greasy/fried foods because combined with the medicine it leaves them feeling worse afterwards than eating a similar "healthier meal".

Yes N=2, small sample sizes, but I could also see how being less snacky makes one less likely to eat chips. (Why I almost pathologically don't keep easy to eat food in my pantry, granted this can also backfire too).

Just wanted to add in, even as someone who isn't super experienced in the field (1.5 years of contracting on top of 6ish years programming in grad school), I find logistics an incredibly interesting field. So yes even from youngish guys you'll be attractive even being a "non-glamorous industry."

Also I believe a large swath of developers just enjoy problem solving regardless of the application as long as solving the problem itself is a challenge. While others like steady routine, and I think both are useful to your ends. Of course there are some that like to be on the cutting edge (though IMHO logistics can very much include that, though I recognize that isn't your needs currently) and those people will choose a different company.

Seeking Contract Or Long Term Employment

  Location: Nashville, TN, US
  Remote: Yes
  Willing to relocate: Most likely, no
  Technologies: Python, Tensorflow, CUDA, Node.JS, Docker, SQL, AMBER, Schrodinger, Linux
  Website: https://biophysvertex.com
  Resume/CV: https://biophysvertex.com/Jonathon_Ferrell_Resume.pdf
  Email: jbferrell [at] biophysvertex [dot] com
I have a deep background in computational biology/chemistry with extensive coding experience especially around Neural Networks. My background in academia and recent work has set me to be very comfortable in working with old, outdated, poorly documented software and massaging it to work in current workflows. I also have strong experience developing new projects and software.

SEEKING WORK, REMOTE

Remote: Yes, I have only worked with US clients but would be willing to work with international clients.

Willing to relocate: No

- Technologies: Python, Tensorflow, CUDA, Javascript, General AI, SQL, Docker

- CV/Resume: https://biophysvertex.com/Jonathon_Ferrell_Resume.pdf

- Website: https://biophysvertex.com/

- Email: jbferrell [at] biophysvertex [dot] com

I am an incredibly flexible and adaptable worker. I can quickly learn new programming languages, software, etc and I specialize in dealing with old and poorly maintained code. I thrive on problems that seem insurmountable. Of course I am happy to work on easier problems too.

Location: Nashville, TN

  Remote: Yes
  Willing to relocate: Most likely no.
  Technologies: Python, Tensorflow, Javascript, C/C++, Go, Docker, Scala, AMBER, Schrodinger, CUDA, SQL
  Resume/CV: https://biophysvertex.com/Jonathon_Ferrell_Resume.pdf
  Email: jbferrell@biophysvertex.com
My background is in biophysics but I am open to working on a wide variety of things. Also have some theoretical math background, and am an excellent baker.

I'm the guy you want if you just want to drop kick someone into a mess, shrug and say, figure it out. I can and have worked with diverse teams and am generally adaptable to basically any environment.

As someone who used various types of GPUs in graduate school. For most simulations, and even machine learning (unless you need the VRAM) you are generally better off going with a consumer card. There is generally about the same number of CUDA cores and the higher clock speeds will generally net you better performance overall.

Simulations where this isn't true is any that need double floating point (which you previously were able to do in the Titan series of consumer-ish cards). And where it is super important for DL is the VRAM it allows you to use much larger models. Plus the added features of being able to string them together and share memory which is an important feature that has been left off consumer cards (honestly in a way that makes sense because SLI has been dumb for some time).

I did this my first year of college, blocked all distracting websites with an extension on Chrome. I still had it so I could watch on phone or if I Incognito windowed but putting that extra amount of effort kept me from mindlessly browsing the moment I got bored with homework. I finished all my homework in record time and was well prepared for my classes, I think I stopped doing this because I ended up becoming very bored.

I respect anyone who can keep up a job with as much diligence as this definitely required over the years. I do not begrudge him wanting to live a life well lived and hope his future is filled with joy.

As an aside, seeing Sukiyaki at the end was definitely unexpected, but put a smile on my face.

I think I remember seeing in an LTT video, mention of possibly using the expansion slot as an additional battery input. I didn't know if that was a possible direction considering the tech specs mainly focus on the 8x interface. Having bought a thinkpad for that exact purpose of an extra swappable battery, that would be a big boon if it was possible (even if you can't comment on a specific road map).

Location: US (TN)

Remote: Yes

Willing to Relocate: Yes (Location Dependent)

Technologies: -Languages: Python, Go, Scala, CUDA, C/C++ -Computational Chemistry: Schrodinger Suite, Amber Suite, Pymol, RDKit, MDAnalysis, PARMED -Basic Skills: Linux - Terminal Driven Work/Development, Git, general software knowledge

Resume/CV: https://drive.google.com/file/d/1zjhId774L1D3AJN9S-Aj7g1IcCh...

Email: jbferrell@biophysvertex.com

Open to Contracting

I am a recent computational biophysics doctoral graduate with a broad background in STEM generally and a decent background in computation, ML, etc. My interests are equally as broad (read include outside of biophysics) so if you need someone highly adaptable I'm your ticket.

Location: US (TN)

Remote: Yes

Willing to Relocate: Yes (Location Dependent)

Technologies: -Languages: Python, Go, Scala, CUDA, C/C++ -Computational Chemistry: Schrodinger Suite, Amber Suite, Pymol, RDKit, MDAnalysis, PARMED -Basic Skills: Linux - Terminal Driven Work/Development, Git, general software knowledge

Resume/CV: https://drive.google.com/file/d/1zjhId774L1D3AJN9S-Aj7g1IcCh...

Email: jbferrell@biophysvertex.com

Open to Contracting

I am a recent computational biophysics doctoral graduate with a broad background in STEM generally and a decent background in computation, ML, etc. My interests are equally as broad (read include outside of biophysics) so if you need someone highly adaptable I'm your ticket.

Not bad for an armchair physicist. Disclaimer, my undergraduate degree was in physics but I'm not a quantum expert by any measure and my graduate work took me closer to statistical mechanics.

So for the simplest explanation for you and the parent is that as you said electrons are both particles and waves, there are experiments that we can demonstrate for that. But if you're thinking of the electron cloud then that exists partially because you aren't measuring the electron. Basically this particle(s)/wave(s) orbiting the atom can exist in a lot of different configurations at once determined by it's energy (which is influenced by its/they position and how fast it is/they are moving). For educational purposes we often treat them more exclusively as a particle (early electrodynamics) or a wave (early quantum) depending on what field we are talking about.

Of course there is greater definition I can give to what it is if we want to start talking about what protons and neutrons are made of and most of that is what occurs at the LHC. (But I'm heavily out of my depth in high energy particle physics).

The measurement uncertainty applies to some other properties as well basically your uncertainty in the electron's position (sigma_x) and uncertainty in the electron's momentum (sigma_p) are bound by sigma_p * sigma_x >= hbar/2

hbar is the reduced planck constant and sigma are statistical variance, but that condition must always hold so as sigma_x goes to 0 (you are more certain about the potential) sigma_p must get larger to compensate so you are less certain about the momentum. This measurement collapses the waveform and until enough time passes for the system to "normalize" the momentum will continue to be uncertain, after that you can measure the momentum but the position could be different too.

I never said he is a jerk, just why some might state he is. There seems to be another comment replying to you giving more justification. Also just because I've personally found someone as pleasant doesn't mean that they can't appear to be a jerk to others. I have friends who think I'm absolutely wonderful, there are other people who don't like me at all. Part of that is differences in personalities/conditions under which we met/etc, and I don't have nearly as much of the public exposure as Drew has here.

He can have some very strong opinions which he has acknowledged in his most recent blog post and that can rub people the wrong way. But all my personal interactions with him (not that there have been many) have been pleasant.

I don't know how you would classify this for replace vs augment. However Neural Network force fields which replace traditional forcefields in simulations are and have been an active area of work. There are plenty of examples but I'd say most notable are Deep-MD by the Weinan E lab of Princeton (they even have a docker file on NGC), the work of Behler and derivatives, and probably more towards the direct replacement, TensorMol which I've seen some recent movement on.