legend-L24

Pinned Repositories

aiida-lsmo
AiiDA workflows for the LSMO laboratory at EPFL
Language:Python00
aiida2.x-lsmo-setup
Setup of AiiDA-LSMO plugin, computer and codes for the LSMO group
00
bachelor-scripts
There are all scripts for two programmes in my bachelor career
Language:Jupyter Notebook00
ch420
Resources for course CH-420 Understanding Advanced Molecular Simulation
Language:C00
DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
Language:Python00
feasst
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo methods.
Language:C++00
ff_optimizer
Language:Jupyter Notebook10
gRASPA
GPU Monte Carlo Simulation Code with a taste of RASPA
Language:C++00
i-pi
i-PI: a universal force engine
Language:Python00
ipi-tutorials-schools
Language:Jupyter Notebook00

legend-L24's Repositories

legend-L24/ff_optimizer
Language:Jupyter Notebook10
legend-L24/aiida-lsmo
AiiDA workflows for the LSMO laboratory at EPFL
Language:Python00
legend-L24/aiida2.x-lsmo-setup
Setup of AiiDA-LSMO plugin, computer and codes for the LSMO group
00
legend-L24/bachelor-scripts
There are all scripts for two programmes in my bachelor career
Language:Jupyter Notebook00
legend-L24/ch420
Resources for course CH-420 Understanding Advanced Molecular Simulation
Language:C00
legend-L24/DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
Language:Python00
legend-L24/feasst
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo methods.
Language:C++00
legend-L24/gRASPA
GPU Monte Carlo Simulation Code with a taste of RASPA
Language:C++00
legend-L24/i-pi
i-PI: a universal force engine
Language:Python00
legend-L24/ipi-tutorials-schools
Language:Jupyter Notebook00
legend-L24/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
legend-L24/molsim_workflow
A computational workflow which takes as input a CIF (Crystallographic Information File) and then performs the following operations:
legend-L24/PIMDFORWATER
legend-L24/RASPA2_GC-TMMC
Modification of RASPA2 code for GC-TMMC simulations
legend-L24/SummerUniversity2024
Language:Jupyter Notebook