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Starred repositories

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Fortran 1 Updated Nov 8, 2023

My collection of functions commonly encountered in C/C++ programs for physical modelling and simulation.

C 1 1 Updated Oct 14, 2024

JAX-based framework for Lattice Hamiltonian simulation

Python 12 1 Updated Jan 27, 2025

SI for n-hexanol solvation in water and n-octanol

Jupyter Notebook 1 Updated Jan 15, 2025
Tcl 4 1 Updated Jan 9, 2025

Scripts to build Markov State Models to unveil the reaction kinetics of carbon in supercritical water based on first principles molecular dynamics simulations.

Python 1 Updated Dec 12, 2024

A hierarchical, component based molecule builder

Python 181 81 Updated Jan 28, 2025

Package to perform minimum-distance distribution analyses of complex solute-solvent interactions

Julia 17 3 Updated Jan 3, 2025

Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations

Jupyter Notebook 2 2 Updated Jan 29, 2025

Single polymer chain simulation; linear or circular configuration, optional and adjustable excluded volume force.

Python 3 Updated Jan 7, 2025

A generic solver for Ornstein-Zernike equations from liquid state theory

Julia 7 1 Updated Oct 4, 2024

A generic and fast solver of mode-coupling theory-like integrodifferential equations

Julia 16 6 Updated Oct 4, 2024

Collection of notebooks about quantitative finance, with interactive python code.

Jupyter Notebook 5,729 1,026 Updated Oct 22, 2024

Simulation and analysis code for active matter research

C++ 3 2 Updated Jan 29, 2022

Numerically solve the Fokker-Planck equation in N dimensions

Python 86 28 Updated Nov 20, 2023

Interactive Streamlit app simulating Geometric and Arithmetic Brownian Motion. Visualize financial asset price movements with adjustable parameters for paths, time steps, volatility, and initial pr…

Jupyter Notebook 1 Updated Oct 23, 2024

pothos: A Python Package for Polymer Chain Orientation and Microstructure Evolution

Python 3 Updated Jan 9, 2025

Polymer field theories with Complex Langevin Dynamics in Python

Python 2 Updated Nov 4, 2024

Support Code for article "Learning the Non-Equilibrium Dynamics of Brownian Movies" (Gnesotto et al. Nat. Comm. XXX)

Python 5 1 Updated Aug 8, 2020

Python implementation of the force and diffusion inference method described in (Frishman and Ronceray, Phys. Rev. X 10, 021009, 2020).

Python 27 7 Updated Oct 12, 2022

Debye's scattering equation & other analysis of atomistic models.

C++ 51 18 Updated Dec 5, 2023

Code to simulate dense inertialess suspensions under shear.

C++ 8 3 Updated Sep 17, 2020

Colab Notebooks covering deep learning tools for biomolecular structure prediction and design

Jupyter Notebook 305 40 Updated Jan 13, 2025
Python 14 2 Updated Jun 4, 2024

A MD Analysis Class for calculating the charge, dipole and quadrapole density distributions

Python 1 1 Updated Nov 13, 2024

cylindr - tool for calculating cylindrical distribution function from an MD trajectory

Python 4 1 Updated Jul 4, 2024

Files associated to the manuscript entittle: Assessment of the MARTINI 3 Performance for Short Peptides Self-assembly

Shell 4 Updated Nov 21, 2023
Python 3 1 Updated Dec 30, 2023
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