smilerrrr

smilerrrr's Stars

• doocs/leetcode

  🔥LeetCode solutions in any programming language | 多种编程语言实现 LeetCode、《剑指 Offer（第 2 版）》、《程序员面试金典（第 6 版）》题解

  Language:Java31.3k314437.1k

• BradyAJohnston/MolecularNodes

  Toolbox for molecular animations in Blender, powered by Geometry Nodes.

  Language:Python8981831283

• sha256feng/mldl-md-dynamics

  A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.

  29139053

• mlund/faunus

  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems

  Language:C++66107934

• LLNL/graphite

  A repository for implementing graph network models based on atomic structures.

  Language:Jupyter Notebook60539

• SarkisovGitHub/PoreBlazer

  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from the CSD MOF.

  Language:Fortran453210

• mogroupumd/aimd

  Language:Python387922

• Jmkernes/Diffusion

  Everything related to diffusion models!

  Language:Jupyter Notebook36306

• omoultosEthTuDelft/OCTP

  On-the-fly calculation of Transport Properties

  Language:C++220165

• m3g/Packmol.jl

  The future of Packmol

  Language:Julia21331

• iaifi/summer-school-2024

  Language:Jupyter Notebook195011

• CMMRLab/LUNAR

  Language:Python18301

• HMakkiMD/PolySMart

  Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package

  Language:Python14114

• resal81/PyTopol

  A library for converting molecular topologies

  Language:Python137296

• Jacks0nJ/PyFPT

  Stochastic first-passage time (FPT) simulations using importance sampling.

  Language:Python11271

• EncinasBartos/TBarrier

  Methods to extract advective, diffusive, stochastic and active transport barriers from 2D and 3D data.

  Language:Jupyter Notebook103013

• lsmo-epfl/zeopp-lsmo

  zeo++ fork of the LSMO

  Language:C++9171

• Erastova-group/ClayCode

  automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS

  Language:Python63492

• glotzerlab/dupin

  Package for detecting rare events in molecular simulations.

  Language:Python4941

• UFSRG/published-work

  Language:Jupyter Notebook400

• elee-tud/dpdwetting

  Software of dissipative particle dynamics

  Language:C++3101

• rxhernandez/MultiScaleDPD

  Codebase for MuliScaleDPD code

  Language:Python3100

• mikhail-a-ivanov/NanoCGBeadMapping

  Creates a set of coarse-grained beads based on an input geometry

  Language:Jupyter Notebook220

• sulcgroup/satassembly-pyrochlore

  Language:C++2200

• argha1992/Transport-on-active-membrane

  Python codes for MSD and DDC calculations

  Language:Python110

• Asureda/Nucleation_Dynamics

  Cluster Dynamics solving the Master Equation for Nucleation

  Language:Jupyter Notebook1100

• Paschek-Lab/OrthoBoXY

  A simple method to compute accurate true self-diffusion coefficients and shear viscosities from molecular dynamics simulations

  Language:Fortran1003

• paulocaldas/Transient-Confinement-Analysis

  Tracks when a given molecule switches between a free diffusion to a confined motion

  Language:Jupyter Notebook1200

• rafamestre/NMAT-nanomicromotor-analysis-tool

  Tool to perform the most typical statistical analysis of nano- and micromotors

  Language:Python1101

• sucheolshin/LAMMPS_active_polymer

  LAMMPS source codes for Brownian dynamics simulations with extensile force dipoles on a polymer chain

  Language:C++110