AutoDock-GPU
cuda_memtest
| AutoDock-GPU | cuda_memtest | |
|---|---|---|
| 2 | 2 | |
| 349 | 107 | |
| 2.3% | 0.0% | |
| 6.6 | 3.4 | |
| 2 months ago | 6 days ago | |
| C++ | C++ | |
| GNU General Public License v3.0 only | - |
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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.
cuda_memtest
What are some alternatives?
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cuda-api-wrappers - Thin C++-flavored header-only wrappers for core CUDA APIs: Runtime, Driver, NVRTC, NVTX.
nekRS - our next generation fast and scalable CFD code
MatX - An efficient C++17 GPU numerical computing library with Python-like syntax
Boost.Compute - A C++ GPU Computing Library for OpenCL
gpu-burn - Multi-GPU CUDA stress test
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WarpX - WarpX is an advanced, time-based electromagnetic & electrostatic Particle-In-Cell code.
ArrayFire - ArrayFire: a general purpose GPU library.