alexbautistah

alexbautistah's Stars

• mouredev/Hello-Python

  Curso para aprender el lenguaje de programación Python desde cero y para principiantes. 100 clases, 44 horas en vídeo, código, proyectos y grupo de chat. Fundamentos, frontend, backend, testing, IA...

  Language:Python26.9k4621051.8k

• mindsdb/mindsdb

  Platform for building AI that can learn and answer questions over federated data.

  Language:Python26.8k3984.1k4.9k

• pachterlab/gget

  🧬 gget enables efficient querying of genomic reference databases

  Language:Python947107174

• google-deepmind/materials_discovery

  Language:Jupyter Notebook8904522141

• google-research/robopianist

  [CoRL '23] Dexterous piano playing with deep reinforcement learning.

  Language:Python585121547

• JuDFTteam/best-of-atomistic-machine-learning

  🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

  3971022438

• materialsvirtuallab/m3gnet

  Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

  Language:Python241113561

• quantumNerd/Quantum-Espresso-Tutorial-2019-Projects

  Language:Gnuplot199234120

• rociomer/dl-chem-101

  Example implementations of common machine learning projects in chemistry.

  Language:Jupyter Notebook1605230

• pranabdas/espresso

  Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

  Language:Jupyter Notebook1161643

• lammpstutorials/lammpstutorials.github.io

  LAMMPS tutorials for both beginners and advanced users

  984719

• mala-project/mala

  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.

  Language:Python82928126

• scikit-learn-contrib/scikit-matter

  A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

  Language:Python77177020

• pipidog/ONCVPSP

  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

  Language:Python695142

• andreww/elastic-constants

  Scripts to calculate elastic properties from a set of strained structures

  Language:Python176815

• marcobn/QETutorials

  Tutorials for Quantum Espresso

  Language:Jupyter Notebook17208

• jochym/qe-doc

  Docs and examples for Quantum-Espresso

  Language:Jupyter Notebook145410

• AdityaRoy-1996/Projected-Bands-in-Quantum-Espresso

  Projected Electronic Bands in Quantum Espresso

  Language:Python13372

• CCP-NC/castepconv

  CASTEPconv, a tool to automate convergence calculations with CASTEP

  Language:Python12203

• HumanOsv/Automaton

  AUTOMATON: A novel program for the search of global minimum structures of atomic clusters and molecules in the gas phase.

  Language:Perl9302

• cja14/CASTEP_VCA_scripts

  Scripts for interacting with CASTEP input and output files for simulations that model solid solutions using the virtual crystal approximation (VCA).

  Language:Python77

• ajjackson/castep-sumo-tutorial

  6215

• bendlikeabamboo/qe-lab

  Quantum ESPRESSO processing tool

  Language:Python6201

• molmod/micmec

  MicMec, the first implementation of the micromechanical model, ever.

  Language:Python6300

• Shihab-Haque/nanotubes-for-Quantum-Espresso-QE

  This repository contains instructions on how to fold monolayers to generate nanotubes for calculation using quantum espresso and includes some example input files of wse2 nanotubes

  6200

• yyyu200/gappw

  A shell script to find band gap from pw.x (Quantum Espresso) output

  Language:Shell6203

• buck54321/pyspresso

  Python wrapper for Quantum Espresso with automated routines and plotting.

  Language:Python5203

• jitinnair1/QuantumEspressoExercies

  Introduction to shell scripts and Quantum Espresso

  Language:Shell2300

• xiaobin9107/CoCrTiMoW-HEA-data-and-ML-scripts

  Language:Python2

• kedark19/phonon_qe

  Phonon with Quantum espresso

  Language:PostScript11