-
Hi,
I am looking for a library to solve batches of trajectory optimization problems (same problem, different initial states) on accelerators, and I've found this library, which looks great! I have…
-
ChangesOfVariables.jl implements an interface for performing a transformation and getting the corresponding log-density adjustment needed. This is implemented by a number of packages, including Transf…
-
Memory problems with large system ->Try [Limited-memory_BFGS](https://en.wikipedia.org/wiki/Limited-memory_BFGS)
-
There's something going on that needs clarification.
Suppose w^* is an unconstrained minimizer of phi(w), and suppose Omega(w^*)=R.
Say phi(w) is a quadratic objective for a linear system that has a…
-
I'm willing to spearhead a module or set of modules containing:
* general constrained and unconstrained nonlinear optimization (sqp, global optimization, etc.)
* nonlinear equation solving (newt…
-
Hello,
I have been thinking a little bit about qbsolv and I came up with a reasoning which might interest this community. As far as I understood, qbsolv is concerned with problems which unknown is …
-
David Chudzicki suggested this enhancement in mail to stan-users of Feb 3, which I excerpt here:
```
Calling the extract method on a stanfit object (returned by sampling or stan) puts the parameters …
-
GenericLikelihoodModel added the pattern for fixing params a long time ago, based on parameter transformation or expansion/reduction.
- The only current usecase of the GenericLikelihoodModel versio…
-
When using the constrain option via the .inp file, I find that having a very high force constant (force constant=100.0) results in the erratic movement of those atoms that are supposed to be constrain…
-
I would like for this example to work:
```python
from polymetrizer import Polymetrizer, HYDROGEN_CAP
from polymetrizer.tests.smiles import ALA, SER, CYS, ACE, NME
from openff.toolkit.typing.engi…