smilerrrr's Stars
academic/awesome-datascience
:memo: An awesome Data Science repository to learn and apply for real world problems.
vscode-neovim/vscode-neovim
Vim mode for VSCode, powered by Neovim
modenaxe/awesome-biomechanics
A curated, public list of resources for biomechanics and human motion analysis: datasets, processing tools, software for simulation, educational videos, lectures, etc.
PlasmaPy/PlasmaPy
An open source Python package for plasma research and education
openmm/pdbfixer
PDBFixer fixes problems in PDB files
christophmark/bayesloop
Probabilistic programming framework that facilitates objective model selection for time-varying parameter models.
iRASPA/RASPA2
Classical molecular simulation code
ICAMS/calphy
A Python library and command line interface for automated free energy calculations
rajeshrinet/pystokes
PyStokes: phoresis and Stokesian hydrodynamics in Python. github.com/rajeshrinet/pystokes
jhenin/Methods-for-enhanced-sampling-and-free-energy-calculations
Enhanced sampling methods for molecular dynamics simulations
mssm-labmmol/pypolybuilder
SoftSimu/SymPhas
Repository for the SymPhas software for phase-field simulations
nsbalbi/Spinodal-Decomposition
MATLAB script for generating videos from the Cahn-Hilliard model of phase separation
nanogchen/polyGraft
A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures
grasingerm/polymer-stats
Computational statistical mechanics of field-responsive polymer chains
ifaust83/cgheliparm
Scripts used to analyze dsDNA structures from Martini MD simulations.
SCiarella/TLS_ML_exploration
Iterative training to explore glassy landscapes
mbaityje/STRUCTURAL-GLASS
Molecular dynamics with hoomd. Inherent structure analysis.
simongravelle/publication-data
Data from recent publications
valesori/smolu_dsmc
Direct Simulation Monte Carlo code (Pyhton) to simulate the Smoluchowski equation.
jomimc/masif_molecule
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
RadostW/PyGRPY
Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.
EMetBrown-Lab/Soft-matter-tutorials
Soft matter tutorials given at the Master ICFP, ENS Paris (2020)
erikweiand/hair-pe-surfactant-nemd
Coarse-grained NEMD simulations of polyelectrolyte-surfactant complexes on biomimetic hair surfaces
ibrahim-mohd/Generate-silica-itp-file-Gromacs
The scripts in this repository creates Gromacs itp files for all-atom simulation of Silica in combination with AMBER force field. For Charmm slight change is required. Refer to the reference in description
jmcdaniel43/Thermodynamic_Integration
Thermodynamic Integration code for computing solvation free energies with SAPT-FF polarizable force fields
lucasattia/drug-surface-MD
Simulations of interfacial competition of excipients on drug surfaces
mici345/Janus_particles_MD
Project: Revealing the Formation Dynamics of Janus Polymer Particles: Insights from Experiments and Molecular Dynamics
suhasgotla/chitosan_amyloid_self-assembly
Protocols and source files for simulation of amyloid-beta self-assembly with chitosan.
vikast282/MPCs_aggregation