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Hello,
I am trying to further-pretrain the official BARThez model (French BART) checkpoint available at moussaKam/barthez with the denoising task.
The command used was the following :
```
ex…
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I wanted to know if it is possible to use PyMBAR to generate a 2D Potential of Mean Force (PMF) graph using energies obtained from NAMD. The energies need to be reweighted though as I used accelerated…
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[PT_MCMC_KLarge.pdf](https://github.com/NIWAFisheriesModelling/CASAL2/files/915399/PT_MCMC_KLarge.pdf)
MCMC methods can perform poorly when they are used to simulate samples from multimodal distrib…
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Hello,
I have encountered a bug when using Pt samplers on MPI. The following code :
```python
N = 3
hi = nk.hilbert.Spin(1/2,N)
n_chains = 24
ma = nk.models.Jastrow()
sa = nkx.sampler.Metro…
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specifically with parallel tempering, I am getting failures to start sampling (both resuming and starting a new job) with the following error message:
`File "/home/baierj/miniconda3/envs/custom_noise…
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It would be good to have some fleshed out use cases to understand what this file format will (and won't!) support. Here's a brainstormed list that probably reflects my biases:
Biomolecular
- A protei…
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The attached paper which discusses 'BCM' software makes it look quite similar to what we are proposing in PINTS. I haven't been through it in detail, and it doesn't look that popular, so may not be an…
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The documentation needs to be finished.
On parallel tempering: https://emcee.readthedocs.io/en/develop/user/pt/
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Hi all,
### 1) Running the second example with n_chains=8, I got:
(beat) lab@lab:~$ beat sample Laquila_dc
config - INFO All hierarchicals ok!
config - INFO All hyperparame…
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First of all currently it is not possible to use straight `sphinx-build` command to build documentation out of source tree
```console
+ /usr/bin/sphinx-build -j48 -n -T -b man docs build/sphinx/…