lucas-j-santos
PhD student in chemical and biochemical process engineering at the Federal University of Rio de Janeiro
lucas-j-santos's Stars
mosdef-hub/mosdef_slitpore
A variety of water and carbon slit-pore simulations
mdcourse/python-codes
Python codes for the "Learn Molecular Simulations with Python" project
rafaballerini/GitTutorial
Tutorial de como usar o Git e Github na prática
HajimeKawahara/pinvprob
Python code for the linear inverse problem
eric-brandao/lcurve
python functions to calculate l-curve parameter
elvissoares/PyDFTlj
An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
iRASPA/RASPA3
sp8rks/MSE2001python
Files for the MSE2001 course Introduction to Python for Materials Engineers
jalemkul/gmx_tutorials_livecoms
LiveCoMS GROMACS Tutorials Paper
pauliacomi/pyGAPS
A framework for processing adsorption data and isotherm fitting
2xmax/dbdb
Source code for "Pore-Size Distribution of Silica Colloidal Crystals from Nitrogen Adsorption Isotherms" article
simongravelle/gromacs-input-files
GROMACS input files
yunjey/pytorch-tutorial
PyTorch Tutorial for Deep Learning Researchers
deeplearningzerotoall/PyTorch
Deep Learning Zero to All - Pytorch
pytorch/tutorials
PyTorch tutorials.
jcjohnson/pytorch-examples
Simple examples to introduce PyTorch
sfalmo/NeuralDFT-Tutorial
Neural functional theory for inhomogeneous fluids - Tutorial
sfalmo/NeuralDFT
Neural functional theory for inhomogeneous fluids: Fundamentals and applications
tjz21/DFT_PIB_Code
Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
kenhding/Coursera
My course work solutions and quiz answers
Kulbear/deep-learning-coursera
Deep Learning Specialization by Andrew Ng on Coursera.
yang-song/score_sde_pytorch
PyTorch implementation for Score-Based Generative Modeling through Stochastic Differential Equations (ICLR 2021, Oral)
thomasunderwood/ClayFF
A GROMACS implementation of the ClayFF force field
GOMC-WSU/MoSDeF-GOMC
MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC
COPPE-UFRJ/CoppeTeX
A LaTeX toolkit for writing thesis and dissertations at COPPE/UFRJ
peteboyd/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
mosdef-hub/mbuild_tutorials
A set of tutorials to introduce new users to mBuild
mosdef-hub/MoSDeF-workshop
Collection of tutorials and example workflows for MoSDeF workshop at FOMMS 2022
mosdef-hub/mosdef_tutorials
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
ermongroup/ncsn
Noise Conditional Score Networks (NeurIPS 2019, Oral)