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I work in Molecular dynamics of biomolecules. I am familiar with the software NAMD. We use NAMD in our CPU cluster with the aid of mpirun.

Without GPUs can I implement large scale deep learning?

Is there any scalable software out there like NAMD, but for Machine learning and deep learning? Is there any Machine Learning software that can run in parallel and that you can specify the number of CPUs to use?


UPDATE : I know that NAMD is not for machine learning. But I am asking for the possibility of a similar software to use with CPU cluster, where GPUs are not available.

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    $\begingroup$ It does not seem that NAMD uses machine learning algorithms. What are you refering to? $\endgroup$ – nicoguaro Jul 30 '17 at 16:44
  • $\begingroup$ Agreed. I am asking people if someone knows a similar style program for ML/DL. $\endgroup$ – dexterdev Jul 30 '17 at 17:03
  • $\begingroup$ Similar style regarding what? $\endgroup$ – nicoguaro Jul 30 '17 at 18:04
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    $\begingroup$ Then ... do you want a Machine Learning software that can run in parallel and that you can specify the number of CPUs to use? $\endgroup$ – nicoguaro Jul 30 '17 at 19:02
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    $\begingroup$ Then, why not write that in your question? $\endgroup$ – nicoguaro Jul 31 '17 at 10:44
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At least in the deep learning community, GPU support in now the de facto standard. Common libraries (in alphabetical order) such as Caffe, Keras, PyTorch, Theano and Tensorflow are all GPU compatible with single-line commands.

The following table summarizes current GPU support for most deep learning libraries. https://en.wikipedia.org/wiki/Comparison_of_deep_learning_software

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I think that it does not make sense to call NAMD program as neither machine nor deep learning tools. As far as I concerned, the very brief definition of these two vocab is you have to teach the program or machine until they can learn themselves. But, for NAMD, which is an instant program, it is just one of computational chemistry program package which is being used as a tool to straightforwardly provide you the energies of molecule, lipid, protein, etc. This means that you just put data in, and get data out. No need to teach NAMD.

However, there is many other open-source/freeware programs in research field of chemistry/biology like NAMD such as GROMACS, AMBER, and LAMMPS. Also these can be used with GPU architecture.

P.S. Actually I should have made a comment for your question instead of answer, but my reputation is still lower than 50. LOL.

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