-
Hello, not really sure if this sould be an issue, but please treat it as a feature request.
Could we get a percentage progress of the whole project, not just the job we are currently working at?
-
Hello,
Is there currently a way to use the converted HLO modules from `jax_to_hlo.py` and run them outside the tensorflow repository?
(using steps in the example of https://github.com/google/jax/…
-
**Submitting author:** @pw0908 (Pierre Walker)
**Repository:** https://github.com/bbye98/mdcraft
**Branch with paper.md** (empty if default branch): main
**Version:** v1.2.0
**Editor:** @srmnitc
**Rev…
-
**Submitting author:** @csbrasnett (Christopher Brasnett)
**Repository:** https://github.com/Martini-Force-Field-Initiative/MartiniGlass
**Branch with paper.md** (empty if default branch): JOSS
**Vers…
-
We know the cleaveage sites into the protein, as explained here.
> SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
Published on Cell, …
-
Hello **cp2k** community,
I'm planning to run some Ab Initio Molecular Dynamics (AIMD) simulations on perfect crystal systems. I have a question regarding the use of supercells: **Is it always nece…
-
Shall I use Cython to speed up the program?
In current test there are only 8 agents and if there are more, the computation slows down.
The computation complexity increases with the number of age…
-
Do you think this code could be modifed to include particles with different properties like charge, ie positive particles would stick if they touched negative particles , but repel or not stick to oth…
-
It would be nice if multiple modes could be animated simultaneously, like [this example](https://www.youtube.com/watch?v=dGVaU3o3Ve4). There is a primitive implementation (which reads from the phonopy…
-
It would be good to have some fleshed out use cases to understand what this file format will (and won't!) support. Here's a brainstormed list that probably reflects my biases:
Biomolecular
- A protei…