Lists (17)
Ai
Artificial intelligence, python mainly1 repository
Android
Android apps2 repositories
Data analysis, parse, visualize
General Science related programs, mostly in python, including data manipulation programs.88 repositories
Docker_Linux_Personal
Personal collection of docker images related to data analysis, science (chemistry), production workflow and computing capacitys.4 repositories
Favorites
Most important saved projects.56 repositories
Fedora_Linux_Personal
My personal saved peckages related to linux, focused on science (chemistry), production related utilities, and other usefull repositorys.102 repositories
Html, Design
Css, html, general design realated, and other corresponding subjects repositories.3 repositories
JupyterLab
Data snalysis, science (mainly chemistry), and other usefull jupyterlab repositorys.71 repositories
LaTeX
LaTeX, science, and academic writing related repos1 repository
Machine-learning/Tensorflow
Tensorflow related packages, in datascience and chemistry subareas80 repositories
Mass Spectrometry/Chromatography
Mass Spectrometer related programs, focusing in non-biochemical type of analysis, mostly in python9 repositories
Quantum
Quantum chemistry related programs and scripts, most in python17 repositories
References
References repositorys, to consult on future buildings and devlopement30 repositories
Spectroscopy
Absorption/Emission light spectroscopy related programs17 repositories
Study_Notebooks
Jupyter notebooks usefull to persknal study, focused on scinece (chemistry), data analysis, machine learning, Python and utilities.17 repositories
To Download
Packages saved for later downloading and installation1 repository
X-Ray/Microscopy
Python programs belonging to data acquirement, treatment and analysis, in different techniques, with x-ray basis in common, with great impact in chemistry.22 repositories
Starred repositories
277
stars
written in Python
Clear filter
A minimalistic GUI for analyzing Pandas DataFrames.
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
A curated list of awesome scientific Python resources
Command-line tool for looking up colors and palettes.
CLI script for interacting with local Anki collection
An unofficial api for downloading papers from SciHub via DOI, PMID, title
A lightweight package for generating visually distinct colours.
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
A General Automated Machine Learning framework to simplify the development of End-to-end AutoML toolkits in specific domains.
A set of scripts to build LLVM and binutils
📖 Generate markdown API documentation from Google-style Python docstring. The lazy alternative to Sphinx.
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
Python wrapper and simple addons for sioyek PDF viewer
Use vim (or your favorite editor) to write anki cards quickly in plain text or latex.
An Astropy coordinated package for astronomical spectroscopy. Maintainers: @rosteen @keflavich @eteq
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
Inline data annotator for Jupyter notebooks