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kain88-de / protein.gro
Created January 23, 2018 23:08
Written by MDAnalysis
129
2VAL CA 1 455.520 99.606 -0.058
3PHE CA 2 456.046 99.396 -0.243
4GLY CA 3 455.768 99.403 -0.523
5ARG CA 4 455.524 99.100 -0.487
6CYS CA 5 454.891 98.798 -0.323
7GLU CA 6 454.677 99.306 -0.123
8LEU CA 7 454.862 99.645 0.247
9ALA CA 8 454.919 99.542 -0.430
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kain88-de / PYMC3 - Michaelis–Menten.ipynb
Last active January 18, 2018 13:40
Michealis-Menten Fit using PyMC3
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kain88-de / performance.ipynb
Created October 31, 2017 23:07
MDAnalysis Reader performance
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kain88-de / integral.ipynb
Created October 26, 2017 11:36
sympy integral
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kain88-de / mic.ipynb
Created September 21, 2017 20:44
Triclinic minimum image distances in MDAnalysis
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kain88-de / pkdtree.ipynb
Created September 17, 2017 12:28
pkdtree test
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kain88-de / openmp-test.ipynb
Created September 17, 2017 11:52
openmp speed up
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kain88-de / bench.ipynb
Created July 25, 2017 13:39
timeseries benchmark
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kain88-de / datreant-parser.ipynb
Last active July 21, 2017 16:39
datreant tag selection parser
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kain88-de / matplotlib-issue.ipynb
Created June 23, 2017 11:19
xtick behavior is inconsistent.
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