-
Hello,
I am wondering how can we save the espaloma FF parameters (bonded and non-bonded) files, to use in standalone amber simulations, for example, what I need to do after this step:
openmm_sy…
-
As noted in an earlier e-mail, if $z$ is a unit vector of length $N$, then squaring each element so $x_i = z_i^2$ gives us a point $x$ on the simplex. If all elements of $z$ are positive (i.e. $z$ is …
-
Now that we've started creating actual pangeo forge datasets, we're starting to notice the need for flow parameterization. I'll provide a few examples of where we may want to use a parameterized varia…
-
Dear Authors,
Thanks for your brilliant works! Now I am learning about the detailed change of parameter shape in your code and in your paper. I noticed that the A is (D,N), which represents a N*N ma…
-
I am attempting to perform parameterization using the ARAP class provided by igl.
I start with an open3d mesh generated from a scan (Note it is partial scan of object -- not watertight). I then ext…
-
When you have existing models, you might want to update the model parameterization without rebuilding the model.
Therefore an Update API would be usefull, A design would be needed, but in my mind …
-
The default plotTitle is created on the server - either using plotTitle specified by user or automatically created
Automatic creation should change from:
y vs x
to
y vs x color=[color] sorce=[so…
-
We are checking $B \rightarrow D^{*}$ FF parameterization again
## The parameter $c_3, d_2$ are not used
We were stealing $R(D^+)$'s parameterization, in which they claimed that
> The $c3$ and…
-
From @fmasbervejillo [here](https://github.com/camrinbraun/HMMoce/issues/24)
In @paulgatti example [code](https://github.com/camrinbraun/HMMoce/blob/dev/vignettes/Gatti_example.Rmd):
Line 320:
…
-
get_models from nflows doesn't scale, is annoying
Instead, as a minimum, we want a pluggable system (=extensible) for defining models that is based on templating.
* A designated directory, e.g.…