Víctor Alejandro Gil Sepúlveda (@victor-gil-sepulveda)
github

victor-gil-sepulveda

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Top repositories

1

pyRMSD

pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices.
C++
24
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2

Coursera-DukeSQLForBigData

Files for the assignments of the "Managing Big Data with MySQL" Coursera course by Duke University
Jupyter Notebook
16
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3

pyScheduler

Implementation of a simple task scheduler. It can run taks in parallel.
Python
14
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4

pyProCT

pyProCT is an open source cluster analysis software especially adapted for jobs related with structural proteomics. Its approach allows users to define a clustering goal (clustering hypothesis) based on their domain knowledge. This hypothesis will guide the software in order to find the best algorithm and parameters (including the number of clusters) to obtain the result that fulfills their expectatives. In this way users do not need to use cluster analysis algorithms as a black box, improving this way the results. pyProCT not only generates a resulting clustering, it also implements some use cases like the extraction of representatives or trajectory redundance elimination.
Python
9
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5

PhD-ANMInternalCoordinates

Implementation of an Anisotropic Normal Mode methodology in Internal Coordinates.
C++
2
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6

PhD-ANMPythonHelpers

Some tools for the ANM in internal coordinates project
Python
1
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