Peter Eastman
Peter Eastman
Some of those names look like the ones used by Amber for protonation variants. For example, HID, HIE, and HIP are respectively the versions of HIS with a hydrogen on...
It's not exactly that it generates multiple renderings of the same scene. It's more sophisticated than that. But there is a performance cost. Given the sorts of scenes you're rendering,...
I think that should be fine. By the way, you can find a discussion of this antialiasing method at https://www.opengl.org/wiki/Multisampling.
According to https://stackoverflow.com/questions/4207506/where-is-gl-multisample-defined, it became a standard feature in 1.3. Extensions start out being proposed by one vendor, and they have their own name for it. Then if everyone agrees...
I was about to report what I think is the same problem. It was just introduced in one of the last few releases. With 3.0.3 it reports every relative link...
Thanks! We're building HTML documentation with Sphinx, and using linkinator on Github Actions to check for broken links in each PR. Here is the section of the script that runs...
I don't think you can really analyze the whole codebase in those terms. A lot of it isn't specific to any application. A GCN is a GCN whether you apply...
> I've been told it has something to do with different OpenMM compute platforms all only maintaining internal neighbor state (in different formats) and not presenting a common interface: That's...
NNPOps now has a neighbor list implementation that can be used in torchscript.
Not yet I guess. It should be very easy to add. cc @raimis