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Hello
I am not reporting any issue and I only wanted to why a dimer run requires optimization before and after the dimer run. In your examples, I see you have used PreconLBFGS as your optimizer fo…
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an engimatic, self bootstrapping, self creating, self manifesting,
self replicating,emoji based, quine,
meta meme, open source, lisp based,
artificial life, genetic …
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Any specific reason why there are no Dockerfile, that allows to setup and run overpass API with just few commands?
It took me some time to setup Docker image and run container: https://github.com/dmi…
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I've started investigating whether it's possible to run stable MD simulations using models trained on SPICE. I'm opening this issue as a place to describe my results and discuss approaches.
As a s…
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## Environment Information
Open Babel version: 3.1.1
Operating system and version: Linux
## Expected Behavior
## Actual Behavior
## Steps to Reproduce
When I gen3D for 100…
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### Email (Optional)
_No response_
### Version
mp-api==0.36.1
### Which OS(es) are you using?
- [ ] MacOS
- [ ] Windows
- [X] Linux
### What happened?
I am comparing optimization trajectories a…
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I've started looking into how to improve the speed of the equivariant transformer. I'm opening this issue as a place to report my progress.
I'm mainly interested in the speed of running simulation…
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@pandaro just want to mention that i have been committing the Lua AI to the two games
http://imolarpg.dyndns.org/trac/balatest/log/
BA version 9.36 includes the Lua AI, a version just before you adde…
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**Submitting author:** @JeanWi (Jan F. Wiegner)
**Repository:** https://github.com/UU-ER/AdOpT-NET0
**Branch with paper.md** (empty if default branch): joss-submission
**Version:** v0.1.2
**Editor:** …
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First of all, congrats on the v23.0 release! As soon as I saw it on GitHub, I started playing with Rust bindings to the C bindings, and it's going pretty well overall. However, I wrote two unit tests,…