pgbarletta

German P. Barletta's repositories

Algoritmos

Language:Jupyter Notebook2 30

locuaz

Antibody optimization platform

Language:PythonMIT2 2 2

abag_new

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GrANA

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amb_to_gmx

Language:Python010

asdfasdf

010

bcpandcmake

010

biobb_analysis

Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.

Language:PythonApache-2.0000

CalculatePartialChargesWithPsi4

Language:Jupyter NotebookMIT020

chemfiles

Library for reading and writing chemistry files

Language:C++BSD-3-Clause000

cmake_reference

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DLPacker

Language:PythonMIT000

freesasa-python

FreeSASA Python Module

Language:CythonMIT010

ion_contour

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JUMD

Julia Utilities for Molecular Dynamics

Language:Julia020

jupyter-nb-templater

A tool for generating Python scripts to programmatically generate Jupyter notebooks.

Language:PythonGPL-3.0010

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

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migue

Language:Jupyter Notebook020

nbval

A py.test plugin to validate Jupyter notebooks

Language:PythonNOASSERTION010

paco

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proteinshake

Protein structure datasets for machine learning.

Language:PythonBSD-3-Clause000

pyxbox

020

rika_paper

Language:Jupyter Notebook010

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

Language:PythonApache-2.0000

suppl_info_locuaz

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test_stdexec

Language:CMake010

timestep_check

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UserGuide

User Guide for MDAnalysis

Language:Python000

vim-roman

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workshopper

Language:Python020