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**Edit** Originally, this issue was about a proof-of-concept for a new PyTorch backend in RETURNN.
This has somehow evolved into a whole new generic frontend API (original idea here: https://github.c…
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Hi, @milankl, I and @miniufo calculated some conserved quantities, such as:
- total circulation:
$$C = \iint q h dxdy = \iint {\zeta} + f dxdy$$
we used julia code like:
```julia
function total_C…
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Issue opened to collect info about possible future SPSA improvements.
### SPSA references
SPSA is a fairly simple algorithm to be used for local optimization (not global optimization).
The wiki h…
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Source
https://github.com/meta-introspector/meta-meme/wiki/Ode-to-heideigger#ode-to-heideigger
### Summary of Our Path
1. **Initial Concepts and Inspiration**:
- We began by invoking the Mu…
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![image](https://user-images.githubusercontent.com/5671771/142134360-71e14575-d7e7-46a9-8665-d12812a72cec.png)
_Originally started in Oct; Re-started in 2021-11-16_
## Chapter 1 To Sleep
- To a…
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I have a few more questions for your guidance.
[fig.zip](https://github.com/Gallicchio-Lab/AToM-OpenMM/files/13222811/fig.zip)
These two figures are ligands from a certain experiment…
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Creating this issue to document my observations, readings, and development efforts towards building a solution for predicting the replaced mode in the absence of inferred labels.
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**Describe the bug**
I am attempting to run some inputs generated with an old version of Sire and BioSimSpace with the latest devel versions of Sire and BioSimSpace. I loaded all old systems, calle…
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Hi All,
I think we've seen a few of these, but we're running a precursor with a temperature field and boundary i/o and getting this on setup/initialization...i.e. no time steps have run. What are t…