Pinned Repositories
ase-espresso
ase interface for Quantum Espresso
awesome-python-chemistry
A curated list of Python packages related to chemistry
awesome-time-series
Resources for working with time series and sequence data
batchcalculator
Batch Calculator for Zeolite synthesis
chemtools
Python tools for quantum chemical calculations
mendeleev
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
mendeleevapp
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.
Stanford-Machine-Learning-Course
machine learning course programming exercise
lmmentel's Repositories
lmmentel/awesome-python-chemistry
A curated list of Python packages related to chemistry
lmmentel/awesome-time-series
Resources for working with time series and sequence data
lmmentel/mendeleev
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
lmmentel/chemtools
Python tools for quantum chemical calculations
lmmentel/panthera
Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.
lmmentel/pydmft
Python utilities for running density matrix functional theory (DMFT) quantum chemical calculations.
lmmentel/mendeleevapp
lmmentel/colorcif
Render molecular structures from cif files with color coding by symmetry equivalent positions
lmmentel/dashplotter
A dash app to quickly plot stacked scatter plots from csv files
lmmentel/django-timescaledb
A Django database backend and tooling for Timescaledb.
lmmentel/gamess-us-fortran-interface
Fortran interface for GAMESS(US) allowing for reading gamess files
lmmentel/jarvis
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
lmmentel/lmmentel.github.io
homepage
lmmentel/raspberrypi-projects
Random collection of raspberry pi projects
lmmentel/sktime
A unified framework for machine learning with time series
lmmentel/aeon
A unified framework for machine learning with time series
lmmentel/asetools
ASETools is a set of convenience methods and scripts for running quantum chemicals calculations with the Atomistic Simualtion Environment.
lmmentel/awesome-django
A curated list of awesome things related to Django
lmmentel/awesome-self-supervised-learning
A curated list of awesome self-supervised methods
lmmentel/bibler
A small utility python script to perform some basis operations on bibtex.
lmmentel/causal-inference-in-python-code
Code for the Book Causal Inference in Python
lmmentel/cookiecutter
A command-line utility that creates projects from cookiecutters (project templates), e.g. Python package projects, VueJS projects.
lmmentel/cookiecutter-mdbeamer
lmmentel/gnnad
Graph Neural Network-Based Anomaly Detection
lmmentel/lmmentel
lmmentel/matrixprofile
A Python 3 library making time series data mining tasks utilizing matrix profile algorithms accessible to everyone.
lmmentel/rdkit
The official sources for the RDKit library
lmmentel/sktime-feedstock
A conda-smithy repository for sktime.
lmmentel/spark
Apache Spark - A unified analytics engine for large-scale data processing
lmmentel/visions
Type System for Data Analysis in Python