ae_pathogens

A bioinformatic study on intestinal pathogen proteins

afdb_trim_disorder

asd-asd

berlin-kettlebell-work-group

A repository to log our kettlebell training.

ccpnmr-cc-patterns

Visualize cross-peak patterns in 2D 13C-13C correlation spectra based on labeling schemes and present assignments

cicada-songs

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

cookiecutter-data-science

A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.

cookiecutter-reproducible-science

Boilerplate for Python-powered open science

datalift-summit

All the necessary files for the datalift summit workshop.

dmasif

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

esm_contacts

A survey of contact predictions with ESM protein language models

farseer-nmr

A full suite to automatically treat NMR peaklists and to calculate and plot the derived structural parameters from multivariable series of biomolecular NMR experiments.

hugo-second-brain-theme

intro_dgm

An Introduction to Deep Generative Modeling: Examples

iupipe

A pipeline for batch prediction of intrinsic disorder from protein sequences using IUPred 1.0

markdown-cv

My Markdown-formatted CV to render with Jekyll.

miguelarbesu

My personal website

mutant_building

napari-nmr-reader

A napari plugin to read NMR spectra

nmr_bmrb-chemical-shifts

A visualization tool for the BMRB chemical shift statistics

nmr_napari

A tool for visualization and analysis of nD NMR data sets using napari and nmrglue

nmr_tr2d

NmrPipe scripts to batch process 2D NMR experiments acquired consecutively as a "time-resolved" serie.

nmr_utils

Collection of useful tools to deal with NMR datasets.

nmrglue

A module for working with NMR data in Python

nmrplot

A python tool for plotting NMR spectra

phd_thesis_markdown

Template for writing a PhD thesis in Markdown

pluq

Python tools for analyzing the PACSY NMR chemical shift database and assigning protein chemical shifts

pulsecalc

A CLI tool for NMR spectroscopists to calculate RF pulse powers, lengths and frequencies