EnderAraujo
PhD Student in Physics. I am interested in Modern Statistical Mechanics, through advances in algorithms such as MetaD.
EnderAraujo's Stars
luigibonati/mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
simongravelle/thematic-school-soft-nanosciences-2023
LAMMPS simulations used during the 2023 thematic school
lammps/lammps
Public development project of the LAMMPS MD software package
EnderAraujo/PhDThesis
Tesis Doctoral en Física Fundamental 2020
nuwan-d/LAMMPS_tutorials_for_short_courses
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
plumed/doc-master
Prebuilt manual for master (development) version
spiwokv/metadynminer
Package for reading, analysis and visualization of metadynamics HILLS
lammpstutorials/lammpstutorials.github.io
LAMMPS tutorials for both beginners and advanced users
PacktPublishing/Hands-On-Machine-Learning-with-scikit-learn-and-Scientific-Python-Toolkits
The accompanying code for the book "Hands-On Machine Learning with scikit-learn and Scientific Python Toolkits". A practical guide to implementing supervised and unsupervised machine learning algorithms in Python by Tarek Amr
plumed/masterclass-21-1
Repository of the data for PLUMED Masterclass 21.1
luigibonati/data-driven-CVs
Supporting material for the paper "Data driven collective variables for enhanced sampling"
theochem/iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
cecamschool2020/simplemd
cecamschool2020/materials
LA-CoNGA-MiLab-RedClara/test-repo-python-function
Repo for test and training
atlas-outreach-data-tools/website-hugo-framework
Site using Hugo Framework
VACUMM/sphinx-fortran
Fortran domain and autodoc extensions to Sphinx
ritchieng/the-incredible-pytorch
The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relating to PyTorch.
mrkllntschpp/lammps-tutorials
LAMMPS tutorials for Beginners
bussilab/crescale
EnderAraujo/SML_CV
Using supervised machine learning to build collective variables for accelerated sampling
WernerKrauth/scikit-image
Image Processing SciKit (Toolbox for SciPy)
SMTMSbyMET/smtms
This is a collection of answers to a SM book Statistical Mechanics Theory and Molecular simulation written by Mark E. Tuckerman. Lecture notes can be added too.
Allen-Tildesley/data
Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
Allen-Tildesley/corrections
Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017)
Allen-Tildesley/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.
thomasunderwood/cDFT
Attempt to learn classical density functional theory (FMT) of inhomogeneous fluids.
yiming-xu/LAMMPS_Simulation
Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
GiovanniBussi/md-course
Material related to the course in Molecular Dynamics
msultan/SML_CV
Using supervised machine learning to build collective variables for accelerated sampling