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20170130_postdoc_meeting

aeon

A unified framework for machine learning with time series

ase-espresso

ase interface for Quantum Espresso

ase-jnb

jupyter notebooks with different viewers of ASE structures

asetools

ASETools is a set of convenience methods and scripts for running quantum chemicals calculations with the Atomistic Simualtion Environment.

awesome-django

A curated list of awesome things related to Django

awesome-linux-software

🐧 A list of awesome applications, software, tools and other materials for Linux distros.

awesome-machine-learning

A curated list of awesome Machine Learning frameworks, libraries and software.

awesome-python

A curated list of awesome Python frameworks, libraries, software and resources

awesome-python-chemistry

A curated list of Python packages related to chemistry

awesome-self-supervised-learning

A curated list of awesome self-supervised methods

awesome-time-series

Resources for working with time series and sequence data

batchcalculator

Batch Calculator for Zeolite synthesis

bibler

A small utility python script to perform some basis operations on bibtex.

bmatrix

causal-inference-in-python-code

Code for the Book Causal Inference in Python

champagne_coding-26022020

chemtools

Python tools for quantum chemical calculations

colorcif

Render molecular structures from cif files with color coding by symmetry equivalent positions

cookiecutter

A command-line utility that creates projects from cookiecutters (project templates), e.g. Python package projects, VueJS projects.

cookiecutter-mdbeamer

dashplotter

A dash app to quickly plot stacked scatter plots from csv files

deactivation-models

Catalyst deactivation and coke formation models

deeplearningtutorials

Deep Learning Tutorial notes and code. See the wiki for more info.

django-timescaledb

A Django database backend and tooling for Timescaledb.

gamess-us-fortran-interface

Fortran interface for GAMESS(US) allowing for reading gamess files

gnnad

Graph Neural Network-Based Anomaly Detection

high_performance_python

Code for the book "High Performance Python" by Micha Gorelick and Ian Ozsvald with OReilly

jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ

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