melomcr

Marcelo C. R. Melo's repositories

dynetan

Python implementation of Dynamical Network Analysis

Language:PythonGPL-3.011 2 12

QMMM_String_eABF_Tutorial

NAMD QM/MM Tutorial on Free Energy Profile of Reaction Mechanisms

Language:Jupyter Notebook9 1 2

dynetan_tutorial

A collection of tutorials for the python implementation of Dynamical Network Analysis

Language:Jupyter NotebookGPL-3.07 10

PythonIntro

Broad introduction to Python3, from basic Python to scientific modules.

Language:Jupyter Notebook4 10

Database of Antimicrobial Activity and Structure of Peptides (DBAASP) is the manually-curated database. It has been developed to provide the information and analytical resources to the scientific community in order to develop antimicrobial compounds with the high therapeutic index.

Language:Java300

plotnine-examples

Jupyter Notebooks that are part of the plotnine documentation

Language:Jupyter NotebookBSD-3-Clause1 10

BasicFunctionFitting

Class repo for examples of function fitting code.

Language:Jupyter NotebookGPL-3.0010

cobrapy

COBRApy is a package for constraints-based modeling of biological networks

Language:PythonGPL-3.0010

density

Compares the calculation of random variables with different implementations of the GSA Probability Density Function.

Language:C++010

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

Language:PythonNOASSERTION000

pandas-feedstock

A conda-smithy repository for pandas.

Language:ShellBSD-3-Clause010