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Your work is excellent, and I want to design small molecule binding proteins with your moldes. But I'm afraid I can't understand the meaning of these parameters, after consulting Extended Data Fig. 6 …
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Dear @izabala123 ,
I have two questions about the added mass and radiation damping coefficients in BEMRosetta
1. When I was using BEMRosetta to read the results from AQWA, I found two curves in …
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According to the README.md, one can define and set up the various "soft LJ potentials" in a file called `LJsoft_RSQ.table` using the script `setup_ljsoft_potentials.py`. User should be able to modify …
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The data folder ~/Projects/ACTIN_SHOEBOX contains numerous subdirectories, each of them described by the suffix referring to the LJ soft potential, eg. box15-weak, box12-veryweak, box11-strong etc.
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## Goal
* to be able to run a full simulatoin using a machine-learned potential
* The descriptor calculation and ML model evaluation shoudl happen direclty from the C++ core, to obtain good scaleabil…
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Potentials should know about triaxial, axisymmetric, spherical symmetry.
This would enable, for example, calling spherical potential methods with a 1D array (and the symmetry machinery will know ho…
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AFAIK this was the only problem caused by the mod. We were playing simulacrum and I (the host) was playing as void fiend while 2 other clients weren't, and every so often a void potential couldn't be …
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Dear authors:
It's very promising to witness that the stronger Mistral-7b llm models enhance the capability of video understanding. We would eager to see more potentials performed by replacing the …
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@mkrack recently contributed an extended set of GTH potentials to DFTK (https://github.com/JuliaMolSim/DFTK.jl/pull/950). The new location where the CP2K GTH potentials are stored is https://github.co…
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# `.coordinates`
- [x] cartesian_to_poincare_polar (https://github.com/GalacticDynamics/coordinax/pull/136)
- [ ] make_greatcircle_cls (will be done in coordinax)
- [ ] pole_from_endpoints (will…