Re: [AMBER-Developers] A QM GUI interface in the cloud

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 1 Apr 2021 12:58:07 -0400

.gov was added :).

--
Jason M. Swails 
> On Apr 1, 2021, at 9:00 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> That looks really cool Jason!
> 
> Any chance government (.gov) users will be able to take a look at
> this, or is it going to be academic (.edu) only?
> 
> -Dan
> 
>> On Wed, Mar 31, 2021 at 3:38 PM Jason Swails <jason.swails.gmail.com> wrote:
>> 
>> Hi everyone,
>> 
>> Entos has just released a molecular visualization and exploration tool for
>> free academic use with one-touch QM properties (xTB level of theory for
>> now).  You can get conformer generation, optimization, torsion scans, IR
>> spectra and vibrational intensities, orbitals, ESPs, bond dissociation
>> energies, and more.  I think it could be a very effective tool for
>> instruction.
>> 
>> We'd love to get feedback at envision.entos.ai for anyone that wants to
>> explore with it.  You can see a more detailed description here:
>> https://www.entos.ai/blog/entos-envision-is-released-worldwide
>> 
>> I hope everyone is well!
>> Jason
>> 
>> --
>> Jason M. Swails
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> 
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Received on Thu Apr 01 2021 - 10:00:03 PDT
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