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1. Is it possible to execute a qubo problem execution with hybrid solver on CPU only?
2. Is it possible to divide large problem into small sub problems and execute using hybrid solver to check if it …
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Hi,
Can rest.py run on multiple GPUs?
Thanks,
Istvan
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Provide some simple tests for the sampler
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When derivatives of the objective function are available, MCMC methods that use them, for example Hamiltonian Monte Carlo, can be very much faster than MCMC methods that aren't. PINT has gone to great…
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This is a pretty great idea! to run hamiltonian tempering serially on a single GPU!
Was not clear from the skimming notebook how can one set up REST2 with explicitly solvated protein?
Perhaps by …
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I am trying to locate the openmmtools functionality that corresponds to the 'DeviceIndex' property that can be passed to openmm's Simulation() to convey the available GPU devices. I am able to set the…
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The following input gives error
"Error in MCsim. Negitive phi"
```
# -----------------------------------------------
# Keys for a simple melt calculation
#
# --------------------------------------…
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Hi everyone,
I noticed that parallel tempering is now supported, which is fantastic! I have a few questions about some specific functionalities in the library that I’d love to clarify:
1. **Task…
rkr8 updated
18 hours ago
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Timing-based decisions make the results non-reproducible. The switch statement in MBP.cc is one instance of this (I don't know if there are others). Chris says that the alternatives currently impleme…
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Hi, I was wondering why the `PTSampler` has been removed from the master branch of `emcee` and forked to `ptemcee`? I maintain a package that uses both samplers and it's going to be more maintenance w…