-
I am running temperature replica exchange simulations on small coarse-grained oligomer systems (containing a single chain), and have been using an ensemble validation check on the energies for thermod…
-
Hi Tamas-
I was wondering if you might help me update this code for the new interface. While updating my other models was simple, this one seems to be a little trickier because I had to make some c…
-
I was taking a look at the weird OpenVINS NEES results, in [your paper](https://www.aau.at/wp-content/uploads/2021/03/VINSEval_preprint.pdf) and I believe it is because you are using the "global" orie…
-
# Description
Add [HMC](https://en.wikipedia.org/wiki/Hamiltonian_Monte_Carlo) to the project.
-
Not asking for any sensitive information here! Just wondering (and worrying) about the future of Laplace's Demon which is a package I've been using, enjoying, and telling others to use...
-
If one runs [this](https://github.com/beast-dev/beast-mcmc/files/2421933/test_skygrid_stuck.txt) XML with `-seed 1` (or any other seed for that matter) the `logPopSizes` will get stuck pretty much ins…
-
This issue tracks the implementation of pending enhancements in our rms project.
- [x] Implement `mes` method for enhanced simulation accuracy.
- Doing in #23
- [x] Calculate optimized unita…
MKrbm updated
4 months ago
-
The example in the README.md shows output columns
* [ ] `term`
* [ ] `estimate`
* [ ] `sd`
* [ ] `zscore`
* [ ] `lower`
* [ ] `upper`
* [ ] `pvalue`
I could not find doc for them other t…
-
Running this on a machine with >=2 devices:
```python
import jax.numpy as jnp
from jax import vmap, pmap, grad, lax
def loss(w, d):
return w * d
def local(w, data):
def local_loss(w):…
-
**Submitting author:** @samwaseda (Osamu Waseda)
**Repository:** https://github.com/samwaseda/mamonca
**Branch with paper.md** (empty if default branch): joss-paper
**Version:** 0.0.8
**Editor:** @kel…