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It might be worth mentioning physics, too. Close enough to math and programming, and obvious application. In fact, I found this github project because I was going to write my own proposal so I can typ…
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Hi! I'm trying to install ProDy on my MacOS sierra system. I have tried to use both pip and source file, however, both of them gave me the error messages:
> clang: error: no input files
> erro…
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Hi there,
I'm trying to use pyEmma (v2.4) to construct a Bayesian hidden Markov model to quantify the ion binding pathways, as apparently I couldn't achieve a "good" discretization based on the unl…
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I think it would be great to distribute OpenFermion with some more preloaded molecule files. Of course, one of the great things about OpenFermion is that one can use our Psi4 and PySCF plugins to gene…
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Very often we would like to analyze properties of operators on a restricted particle number manifold. For instance, many (in fact nearly all) simulation algorithms depend in some way on the norm of ||…
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# Description of the problem
Hello!
It would be great if you could add other languages to the insert code options. For example in the Computational Chemistry field we use: bash, latex, fortran90,…
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According to the docstring of [`ccread`](https://github.com/cclib/cclib/blob/master/src/cclib/io/ccio.py#L119), I think I can load several log files as a list. I've done multiple single point energy c…
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In CONTRIBUTING-students.md the paragraph under the heading "Am i Experienced enough?" contains a line " The range of available projects should suit people with different backgrounds, both with and wi…
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https://dx.doi.org/10.1021/acs.jcim.5b00238
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Just wanted to give everyone an update on the project and an opportunity to discuss the next steps. First I'll introduce the individuals who have contributed or are interested in contributing:
+ @c…