> I found their interfaces especially for simple things (traversing atoms/bonds in a molecule) quite unwieldy. Somehow the same for me, this is part of why I started my own project (http://chemfiles.org). I have the…
Better distributed computing libraries and semantics (MPI, OpenSHMEM, ...). At the language level, it is not completely clear how RMDA and lifetimes/references should interact. Better GPGPU support, for CUDA and OpenCL,…
I have a C++ project that is available in multiple languages (Python, Rust, Fortran, Julia and JS), and I decided not to use SWIG partly because of this issue. Instead, I manually maintain a clean C API with everything…
Yep, I will definitively try to compile my Rust MD code to emscripten and give it a look! There are quite a few JS molecules visualizers, so the outcome can be pretty nice for teaching.
Yep, Julia is a very nice language with very good performances. But I abandoned it because it is not (yet?) oriented toward library development, and more usable in exploratory style. I ran into issues a year ago when…
> I found their interfaces especially for simple things (traversing atoms/bonds in a molecule) quite unwieldy. Somehow the same for me, this is part of why I started my own project (http://chemfiles.org). I have the…
Better distributed computing libraries and semantics (MPI, OpenSHMEM, ...). At the language level, it is not completely clear how RMDA and lifetimes/references should interact. Better GPGPU support, for CUDA and OpenCL,…
I have a C++ project that is available in multiple languages (Python, Rust, Fortran, Julia and JS), and I decided not to use SWIG partly because of this issue. Instead, I manually maintain a clean C API with everything…
Yep, I will definitively try to compile my Rust MD code to emscripten and give it a look! There are quite a few JS molecules visualizers, so the outcome can be pretty nice for teaching.
Yep, Julia is a very nice language with very good performances. But I abandoned it because it is not (yet?) oriented toward library development, and more usable in exploratory style. I ran into issues a year ago when…