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**Submitting author:** @mxwalbert (Maximilian Wolf)
**Repository:** https://github.com/mxwalbert/cohesivm
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.0
**Editor:** @RMeli
**…
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Update the packaging per [PEP518](https://peps.python.org/pep-0518/) so that `python -m build --sdist --wheel --outdir dist .` will build the requisite files for upload to PyPI.
One of the things t…
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I'm very sorry to have disturbed you,i am a graduate student majoring in condensed matter. I have recently read your papers entitled "Rich proton dynamics and phase behaviours of nanoconfined ices" an…
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I am using spam to calculate free energies for a mixed solvent MD simulation (protein is ABL kinase)
My input file is as follows:
parm /users/dicksmit/gphani/unsabi/users2/gphani/3_mixMD/ablkinase_3…
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**Submitting author:** @IonRepo (Claudio Cazorla)
**Repository:** https://github.com/IonRepo/IonDiff
**Branch with paper.md** (empty if default branch): main
**Version:** v1.0.0
**Editor:** @rkurchin
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### Documentation Link
https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/gmx_MMPBSA_running/
### Problem
Hi!
The doc I mention states that the input of the `gmxMMPBSA` requires the removal of …
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I recently looked at [lib/include/include/calc_distances.h](https://github.com/MDAnalysis/mdanalysis/blob/develop/package/MDAnalysis/lib/include/calc_distances.h) and I wonder if we are treating tricl…
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## Keyword: metric learning
### Sparse online relative similarity learning
- **Authors:** Dezhong Yao, Peilin Zhao, Chen Yu, Hai Jin, Bin Li
- **Subjects:** Machine Learning (cs.LG); Artificial Inte…
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# "fffaraz/awesome-cpp"
*22-06-2021 13:07*
> A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff. - fffaraz/awesome-cpp
A cur…
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In https://github.com/openmm/openmm/issues/3937, I was discussing a hypothetical hipSYCL backend for OpenMM. The framework uses JIT compilation extensively, mostly to implement custom force fields (in…