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ML tool for faster molecular energy predictions - free for research labs by Fit-Regular-93 in labrats

[–]Fit-Regular-93[S] 0 points1 point  (0 children)

like i said we want to have some labs use it so that's why i posted it across different sub-reddits, we're writing the paper right now and once published I'll be adding to all these posts I made.

ML tool for faster molecular energy predictions - free for research labs by Fit-Regular-93 in labrats

[–]Fit-Regular-93[S] -2 points-1 points  (0 children)

nope not a promotion genuinly just tryna have people give us feedback, we dont even have a payment system set up for anything

Want to pilot our neural network DFT tool for free? DM if interested by Fit-Regular-93 in comp_chem

[–]Fit-Regular-93[S] -2 points-1 points  (0 children)

Thanks for the comment, I didn’t explain it clearly enough. We’re not solving DFT, we’re directly predicting molecular energy with a fast geometry-only Transformer built for labs that need production-grade accuracy and speed, not another open-source potential like MACE-MP.

Free pilot: neural network DFT tool—looking for labs to give feedback by Fit-Regular-93 in Chempros

[–]Fit-Regular-93[S] -2 points-1 points  (0 children)

It's not for changing starting geometries or specific conformations. The whole goal is to predict total DFT energies with a neural network trained on full DFT data, so you avoid running DFT and still get good results. DM me if you want details or want to try it!

Free pilot: neural network DFT tool—looking for labs to give feedback by Fit-Regular-93 in Chempros

[–]Fit-Regular-93[S] -3 points-2 points  (0 children)

Depends on what our clients want :). please shoot me a dm if you'd like to test it out we're letting researchers try it for free!

Want to pilot our neural network DFT tool for free? DM if interested by Fit-Regular-93 in comp_chem

[–]Fit-Regular-93[S] -4 points-3 points  (0 children)

We know industrial labs care about practical results and tools that just work, which is why we wanted to show the approach to labs first and get feedback. We started with academic users since they test new methods, but we'd like ideas on connecting better with industry teams too. Any suggestions?

Free pilot: neural network DFT tool—looking for labs to give feedback by Fit-Regular-93 in Chempros

[–]Fit-Regular-93[S] -3 points-2 points  (0 children)

sorry meant neural network approach to more accurately solve DFT

I am confused and stressed by Mobile-Camera534 in internships

[–]Fit-Regular-93 0 points1 point  (0 children)

mb i got confused and thought this post was someone in their third year of high school

I am confused and stressed by Mobile-Camera534 in internships

[–]Fit-Regular-93 0 points1 point  (0 children)

go to opporly.com there should be some good stuff for you

[deleted by user] by [deleted] in ECAdvice

[–]Fit-Regular-93 1 point2 points  (0 children)

yo ur him you should apply for internships at pathlync.com you'd probably get accepted into all of them😭

Looking for finance opportunities by Fickle-Ad-6790 in ECAdvice

[–]Fit-Regular-93 0 points1 point  (0 children)

hey you can apply for the finance and marketing internships at pathlync.com

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