Felipe Lopes de Oliveira's repositories
pyCOFBuilder
A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach
ForceFields
A repository to hold forcefields for molecular mechanics calculations with RASPA
molSimplify
molSimplify code altered to calcucate the RAC descriptors for COFs
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
HelioML
A book about machine learning, statistics, and data mining for heliophysics
lammps-data-file
[UNMAINTAINED] Lammps data file creation
lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
lipelopesoliveira
Config files for my GitHub profile.
lipelopesoliveira.github.io
My personal website
pymser
A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte Carlo adsorption simulations.
tools
Tools and scripts I wrote and regularly use