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Since we started using einsum to evaluate the joint log density of the trace with discrete parameters, we can do discrete site enumeration across many more models in HMC/NUTS without going OOM.
Fo…
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When I use the optimization, I can see the logs in the screen, which tells me if the optimization faces some problem and fails, such as infinity log probability.
Is that possible I can get the st…
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In GitLab by @mihlema on Apr 2, 2020, 09:46
I came across this problem working on my Case study. In particular, it concerned the `nodal_balance`. We assume that for any kind of optimization model, no…
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The original issue
Id: 149
Title: Nodal balance for node_group / How to handle obligatory default values?
could not be created.
This is a dummy issue, replacing the original one. It contains every…
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### Current situation
nlopt_praxis is supported
### Desired Situation
I think we should remove it
### Reason
The nlopt [documentation](https://nlopt.readthedocs.io/en/latest/NLopt_Algor…
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Release Date: june 2021
Wanted:
- Infrastructure:
- [x] include SHA3-256, as SQlite uses it, and it's there since Python-3.6
- [x] Python-3.9.5, Python-3.10beta3
- [x] Python-3.7+ **P…
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**Submitting author:** @jbuisine (Jérôme BUISINE)
**Repository:** https://github.com/jbuisine/macop
**Version:** v1.2.0
**Editor:** @melissawm
**Reviewer:** @stsievert, @torressa
**Archive:** 10.5…
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Some customers have proposed preventing a “Blast radius” from accidentally running expensive queries.
[One proposal is adding them to the slow query log. ](https://github.com/cockroachdb/cockroach…
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Hi,
[github_issue.zip](https://github.com/openmm/openmm/files/3897860/github_issue.zip)
I was running a heme protein with oxygen bound. I found that NVT with AllBonds constraint crashes within a…
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Currently in the worst case the simulation takes 15 sec for 1 sec (Real Time factor = 1/15 = 0.06). The identified bottleneck is the library `RobotDynamicsWithContacts`.
### Identified Reasons
- …