Marcello-Sega

Associate Professor in Molecular Thermodynamics at UCL. I study simple and complex fluid interfaces

University College LondonLondon, United Kingdom

Pinned Repositories

bachelorthesis
Bachelor thesis
Language:C++0 3 00
BK3-water-model
Language:C2 3 01
espresso
The ESPResSo package
Language:C++2 3 01
fftcw
A code to calculate auto- and cross-correlations using the fftw library
Language:C3 3 00
gitim
Generalized Identification of Truly Interfacial Molecules
Language:C++4 5 03
gromacs
Public/backup repository of the gromacs molecular simulation toolkit
Language:C++1 5 06
namd
Language:C1 3 01
pytetgen
python interface to tetgen
Language:C++8 4 51
pytim
a python package for the interfacial analysis of molecular simulations
Language:Python77 8 4232
pytim-notebooks
notebooks with examples on the pytim package
Language:Jupyter Notebook1 3 00

Marcello-Sega's Repositories

Marcello-Sega/pytim
a python package for the interfacial analysis of molecular simulations
Language:Python77 8 4232
Marcello-Sega/pytetgen
python interface to tetgen
Language:C++8 4 51
Marcello-Sega/gitim
Generalized Identification of Truly Interfacial Molecules
Language:C++4 5 03
Marcello-Sega/espresso
The ESPResSo package
Language:C++2 3 01
Marcello-Sega/gromacs
Public/backup repository of the gromacs molecular simulation toolkit
Language:C++1 5 06
Marcello-Sega/namd
Language:C1 3 01
Marcello-Sega/pytim-notebooks
notebooks with examples on the pytim package
Language:Jupyter Notebook1 3 00
Marcello-Sega/bachelorthesis
Bachelor thesis
Language:C++0 3 00
Marcello-Sega/bibbase.github.io
BibBase Example Page
Language:TeX0 3 00
Marcello-Sega/CMake
Mirror of CMake upstream repository
Language:C2 0
Marcello-Sega/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
Language:C++2 0
Marcello-Sega/hoomd-blue
HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.
Language:C++2 0
Marcello-Sega/indpensim-notebook
Language:Jupyter Notebook2 0
Marcello-Sega/libpme6
C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces
Language:C++3 0
Marcello-Sega/Marcello-Sega.github.io
Language:CSS4 0
Marcello-Sega/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Language:Python2 0
Marcello-Sega/neuredox
3 0
Marcello-Sega/nglview
IPython widget to interactively view molecular structures and trajectories
Language:Jupyter Notebook3 0
Marcello-Sega/NN-potential-water-vapor
3 0
Marcello-Sega/pfft
Parallel fast Fourier transforms
Language:C2 0
Marcello-Sega/PoisFFT
Free parallel fast Poisson solver. Requires FFTW3 and optionally PFFT.
Language:Fortran2 0
Marcello-Sega/pulmon
Reproducible data analysis for sensor array data set at UCI MLR
2 0
Marcello-Sega/pytim-ext-networkHF
Extension to the PYTIM package for network analysis of hydrogen Fluoride
Language:Python1 0
Marcello-Sega/pytim-feedstock
A conda-smithy repository for pytim.
Language:Python3 0
Marcello-Sega/reveal.js
The HTML Presentation Framework
Marcello-Sega/scipy-cookbook
Scipy Cookbook
Language:Jupyter Notebook2 0
Marcello-Sega/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:Python3 0
Marcello-Sega/TEP-meets-LSTM
Chemical Process Fault Detection Using Long Short-Term Memory Recurrent Neural Network.
Language:Jupyter Notebook2 0
Marcello-Sega/tep2py
A Python interface to the original Fortran program of the Tennessee Eastman Process (TEP) Control Test Problem
Language:Fortran2 0
Marcello-Sega/tessellate
Tessellate - Quantifying ring conformation
Language:Python3 0