marcello-sega Goto Github PK
Name: Marcello Sega
Type: User
Company: University College London
Bio: Associate Professor in Molecular Thermodynamics at UCL. I study simple and complex fluid interfaces
Location: London, United Kingdom
Name: Marcello Sega
Type: User
Company: University College London
Bio: Associate Professor in Molecular Thermodynamics at UCL. I study simple and complex fluid interfaces
Location: London, United Kingdom
Bachelor thesis
BibBase Example Page
Mirror of CMake upstream repository
A deep learning package for many-body potential energy representation and molecular dynamics
The ESPResSo package
A code to calculate auto- and cross-correlations using the fftw library
Generalized Identification of Truly Interfacial Molecules
GPU accelerated simulations of the 2D Ising model for nucleation studies
Public/backup repository of the gromacs molecular simulation toolkit
HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.
GPU-accelerated Monte Carlo simulations of 2D Ising Model
C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces
The MDAnalysis Toolkits Registry
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
IPython widget to interactively view molecular structures and trajectories
Parallel fast Fourier transforms
Free parallel fast Poisson solver. Requires FFTW3 and optionally PFFT.
Reproducible data analysis for sensor array data set at UCI MLR
Python implementation of Monte Carlo error analysis a la Wolff.
python interface to tetgen
a python package for the interfacial analysis of molecular simulations
Extension to the PYTIM package for network analysis of hydrogen Fluoride
A conda-smithy repository for pytim.
notebooks with examples on the pytim package
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Data-Driven Documents codes.
China tencent open source team.