lmmentel

awesome-python-chemistry

A curated list of Python packages related to chemistry

awesome-time-series

Resources for working with time series and sequence data

mendeleev

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

chemtools

Python tools for quantum chemical calculations

panthera

Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.

pydmft

Python utilities for running density matrix functional theory (DMFT) quantum chemical calculations.

mendeleevapp

colorcif

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

dashplotter

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

django-timescaledb

A Django database backend and tooling for Timescaledb.

gamess-us-fortran-interface

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

jarvis

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

lmmentel.github.io

homepage

raspberrypi-projects

Random collection of raspberry pi projects

sktime

A unified framework for machine learning with time series

aeon

A unified framework for machine learning with time series

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-self-supervised-learning

A curated list of awesome self-supervised methods

bibler

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

causal-inference-in-python-code

Code for the Book Causal Inference in Python

cookiecutter

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

cookiecutter-mdbeamer

gnnad

Graph Neural Network-Based Anomaly Detection

lmmentel

matrixprofile

A Python 3 library making time series data mining tasks utilizing matrix profile algorithms accessible to everyone.

rdkit

The official sources for the RDKit library

sktime-feedstock

A conda-smithy repository for sktime.

spark

Apache Spark - A unified analytics engine for large-scale data processing

visions

Type System for Data Analysis in Python