Pinned Repositories
-Internet-of-Things-with-Python-and-Raspberry-Pi
Internet of Things with Python and Raspberry Pi, published by Packt
15-minute-apps
15 minute (small) desktop apps built with PyQt
a_little_book_of_python_for_multivariate_analysis
A Little Book of Python for Multivariate Analysis
abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
ACDB
aimnet
Atoms In Molecules Neural Network Potential
ani_ext
Python interface to new ANI models
forcebalance
Systematic force field optimization.
pysimm
python simulation interface for molecular modeling
plin1112's Repositories
plin1112/InterMol
Conversion tool for molecular simulations
plin1112/Simply
Kinetic Monte Carlo simulator for polymerization reactions
plin1112/ModBusGateway
A ModbusTCP to ModbusRTU gateway written in python
plin1112/cif2cell-lammps
plin1112/martinize.py
Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
plin1112/trappeua
GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications
plin1112/FTIR-Spectro
A DIY Infrared spectrometry project based on michelson interferometry and Fourrier transform analysis
plin1112/BTW-FF
A forcefield to describe the structures and properties of metal-organic frameworks
plin1112/vesicle_library
library of vesicles with the Dry Martini force field
plin1112/a_little_book_of_python_for_multivariate_analysis
A Little Book of Python for Multivariate Analysis
plin1112/tftb-toolbox
Optical thin film analysis and design toolbox for Octave and MATLAB
plin1112/csg
coarse-graining module
plin1112/Materials-Databases
plin1112/avogadrolibs-cp2k
CP2K input generator for Avogadro 2
plin1112/polymermc
Monte Carlo simulations of coarse-grained polymers: Metropolis, Wang-Landau for Flexible and Semiflexible chains
plin1112/mmtools
Some collected tools for molecular simulation pipelines