Skip to content

@depablogroup de Pablo Group

Change the repository type filter

All

    Repositories list

    8 repositories

    • Sobolev-Sampling

      Public
      This repository containts the files for reproduce the simulations of the paper "Efficient Sampling of Free Energy Landscapes with Functions in Sobolev Spaces"
      Python
      •0•0•0•0•Updated Jan 3, 2025Jan 3, 2025

    • ConstraintFreeMLIP

      Public
      This repository contains files related to the data generation, training, and evaluation for MLIP models without mechanical constraints
      Python
      •0•0•0•0•Updated Aug 28, 2024Aug 28, 2024

    • mlff_lc

      Public
      Code repository for the paper Improving Machine Learned Force Fields for Complex Fluids through Enhanced Sampling: A Liquid Crystal Case Study
      Python
      •
      MIT License
      •0•0•0•0•Updated Aug 9, 2024Aug 9, 2024

    • lc-pom

      Public
      Simulate polarized optical microscopy(POM) image from director field.
      Python
      •1•0•0•0•Updated May 21, 2024May 21, 2024

    • BSpatcher

      Public
      GNU General Public License v3.0
      •0•0•0•1•Updated Apr 28, 2023Apr 28, 2023

    • LAMMPS-3SPN2

      Public
      Coarse-grained molecular model of DNA (LAMMPS plugin)
      C++
      •
      MIT License
      •9•18•0•0•Updated Apr 12, 2022Apr 12, 2022

    • NESI

      Public
      Nonequilibrium simulations of interfaces
      C++
      •
      MIT License
      •1•0•0•0•Updated Nov 2, 2021Nov 2, 2021

    • ANTD-Logic

      Public
      Logic operations with active topological defects
      logical-operatorstopological-defectsnematic-liquid-crystals
      MATLAB
      •0•0•0•0•Updated Oct 21, 2021Oct 21, 2021