cuda_memtest
AutoDock-GPU
cuda_memtest | AutoDock-GPU | |
---|---|---|
2 | 2 | |
107 | 358 | |
0.0% | 2.2% | |
4.1 | 6.1 | |
about 1 month ago | 20 days ago | |
C++ | C++ | |
- | GNU General Public License v3.0 only |
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cuda_memtest
AutoDock-GPU
- Is there any current way to do molecular docking in MacOS?
-
Non organic ligand in AutoDock
I think you receive dumped output. I guess it will be solved by the newer versions of Autodock. Try optimized source code instead of the binary version (probably) installed by your package manager.
What are some alternatives?
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nekRS - our next generation fast and scalable CFD code
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MatX - An efficient C++17 GPU numerical computing library with Python-like syntax
Boost.Compute - A C++ GPU Computing Library for OpenCL
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WarpX - WarpX is an advanced, time-based electromagnetic & electrostatic Particle-In-Cell code.
ArrayFire - ArrayFire: a general purpose GPU library.