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/MachineLearningStocks
Using python and scikit-learn to make stock predictions
plin1112/pycorrelate
Fast and accurate cross-correlation over arbitrary time lags.
plin1112/autografs
Python library for generation of MOFs, COFs, Zeolites...
plin1112/PySimpleGUI
Super-simple GUI to grasp... Powerfully customizable.... all on tkinter
plin1112/vipster
Visualization of various molecular structure files.
plin1112/supercell
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
plin1112/guizero
A wrapper for tkinter to simplify part of the functionality so that kids can use it
plin1112/chem-tools-tutorials
Computational chemistry software tutorials
plin1112/Data-Analysis
Data Analysis Using Python
plin1112/styleguide
Style guides for Google-originated open-source projects
plin1112/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
plin1112/pymatgen-diffusion
This add-on to pymatgens provides tools for analyzing diffusion in materials.
plin1112/take_elementary_step
plin1112/starnet
Stellar spectra features with machine learning
plin1112/snap
Repository for SNAP model development
plin1112/IPMOF
Discovering interpenetration in MOFs
plin1112/GA4AMOEBA
Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form
plin1112/RASPA2
A mirror of David Dubbeldam's general purpose classical simulation package.
plin1112/fftool
Tool to build force field input files for molecular simulation.
plin1112/pytorch-custom-dataset-examples
Some custom dataset examples for PyTorch
plin1112/OSPREY3
Open Source Protein REdesign for You v3
plin1112/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
plin1112/psfgen
NAMD's psfgen + Python improvements
plin1112/Trader.AI
Python application to show AI functionality based on Keras and TensorFlow
plin1112/diffpy.structure
Crystal structure container and parsers for structure formats.
plin1112/workflows
KNIME workflows developed in project using nodes developed in project.
plin1112/thermof
Thermal transport in MOFs
plin1112/ANI1_dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
plin1112/lammps-data-file
[UNMAINTAINED] Lammps data file creation
plin1112/loos
LOOS: a lightweight object-oriented structure analysis library