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Search results for python crystal

102 search results found

Deathstar ⭐ 1,545

Uses Empire's (https://github.com/BC-SECURITY/Empire) RESTful API to automate gaining Domain and/or Enterprise Admin rights in Active Directory environments using some of the most common offensive TTPs.

List All Programming Telegram Group ⭐ 1,261

List of All Programming Telegram Group

Performance Benchmark of top Github languages

Sdl2 Examples ⭐ 299

SDL2 examples, for 25+ different programming languages

Crystal graph convolutional neural networks for predicting material properties.

App Servers ⭐ 231

App Servers benchmarked for: Ruby, Python, JavaScript, Dart, Elixir, Java, Crystal, Nim, GO, Rust

A code to generate atomic structure with symmetry

Regex Benchmark ⭐ 194

It's just a simple regex benchmark of different programming languages.

Senaite.lims ⭐ 162

SENAITE Meta Package

Compile To Web ⭐ 156

Discover what languages can be compiled to Web Assembly

Scikit Ued ⭐ 120

Collection of algorithms and routines for (ultrafast) electron diffraction and scattering

Crystaltoolkit ⭐ 116

Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.

The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER and OpenMM simulation packages.

ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.

Beautiful Atoms ⭐ 102

Python module for drawing and rendering beautiful atoms and molecules using Blender.

Seekpath ⭐ 93

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

Matte Black Theme ⭐ 83

My themes for Chromium and Firefox

Sublime Crystal ⭐ 82

Crystal syntax highlighting for Sublime Text

Crystal Graph Neural Networks

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

Analysing crystal orientations and symmetry in Python

Robocrystallographer ⭐ 70

Automatic generation of crystal structure descriptions.

Polyglot Euler ⭐ 69

📜 Project Euler solutions in various programming languages

🌱 Guided-mode expansion of photonic crystal slabs

Ishocon1 ⭐ 55

iikanji na showwin contest 1st (like ISUCON)

Game Of Life Implementations ⭐ 45

Conway's Game of Life implementation in various languages

Effective Mass Calculator for Semiconductors

Crystal Web Archiver ⭐ 42

Downloads websites for long-term archival.

Pylada Light ⭐ 36

A physics computational framework for python and ipython

Crystals ⭐ 36

Data structures, algorithms, and parsing for crystallography

Third Party Benchmarks ⭐ 36

Various frameworks benchmarks made by third-parties

Cif2cell ⭐ 35

Generating geometries for electronic structure calculations from CIF files.

Elastool ⭐ 31

A toolkit for automatic calculation and analysis of elastic constants

Natural Language Q/A app using DRT.

Garnetdnn ⭐ 29

This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals.

📘 Crystal language doc generator for https://github.com/mkdocstrings/mkdocstrings

A python library for correlating EBSD and HRDIC data

Open source fatigue framework based on PRISMS-Plasticity CPFE simulation

Pokemon Crystal Item Randomizer ⭐ 27

An item randomizer for pokemon crystal

Diffpy.structure ⭐ 26

Crystal structure container and parsers for structure formats.

P2ptrans ⭐ 24

An algorithm to match crystal structures atom-to-atom

SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)

Mt Cgcnn ⭐ 21

NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction

Adafruit_circuitpython_ds3231 ⭐ 20

Adafruit CircuitPython drivers for the DS3231 realtime clock.

python library for post-processing of Electron Backscattered Diffraction (EBSD) data

3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)

Framework for Molecular Aggregate Excitation

Jade Gui ⭐ 17

The libadwaita/gtk based gui installer using jade as the backend.

Freebox Monitoring ⭐ 16

Tools for monitoring Freebox ADSL Modem with grafana, influxdb & telegraf

Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.

Diffcalc ⭐ 16

Diffcalc: a diffraction condition calculator for X-ray or neutron diffractometer control

Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python

An expert system for automated reduction of X-ray diffraction data from macromolecular crystals

Gym Alttp Gridworld ⭐ 14

A gym environment for Stuart Armstrong's model of a treacherous turn.

Tornadowallet ⭐ 14

[Released] A Python/HTML Wallet based upon Tornado framework

Compactsix ⭐ 13

A compact array with 6 MEMS microphones relying on the BeagleBoneBlack and the STA321MP audio processor.

Materials Coord ⭐ 13

MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms

Sublimelinter Contrib Ameba ⭐ 13

Sublime Linter for Ameba

Crystal meets Python

Bicrystal ⭐ 11

BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.

Molecular Builder ⭐ 11

Builder for molecular systems

A Basic Symmetry Module (Python)

Crystalweb ⭐ 10

Measure a crystal using a Nanovna automatically

Crystal_kernel ⭐ 10

Python wrapper kernel for Crystal

Crystalize.py ⭐ 10

Generator of Crystal lib definitions

A GUI for creating and displaying phase masks for a Liquid Crystal on Silicon (LCoS) Spatial Light Modulator (SLM)

Pycrystal ⭐ 9

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

Crystal Gems ⭐ 9

A dataset of mineral images and labels for machine learning purposes. http://www.minerals.net/

Atomicstructuregenerator ⭐ 8

This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.

Geometric analysis of crystal structures

Mechelastic ⭐ 8

This python scripts can be used to calculate some important physical properties such as elastic moduli, melting temperature, Debye temperature, elastic wave velocities, and elastic anisotropy for all crystalline systems using the VASP output data for elastic tensor calculation. It can also be used to test the mechanical stability of any bulk system. It reads the elastic matrix written in the OUTCAR file. If not provided by user, this script will read the crystal type from the OUTCAR file.

Rmc Discord ⭐ 8

Reverse Monte Carlo refinement of diffuse scattering from single crystals

Vasp Tools ⭐ 8

A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.

Controller ⭐ 7

Control plane of Crystal's SDS system. It is composed by the Crystal API and the distributed controllers.

Synthesizability Pu Cgcnn ⭐ 7

Encoding Decoding 3d Crystals ⭐ 7

"Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Jean Michel Sellier, Yoshua Bengio

cif2cell compatible with Python 3+

A python package for working with crystal orientations in TEM

Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.

Crystalatte ⭐ 7

Set of scripts to automate the calculation of crystal lattice energies.

Tools for X-ray diffraction evaluation of single crystals

The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not limited to stress-strain method for getting second order elastic tensors using DFT package VASP as well as, ab initio molecular dynamic method for temperature dependent elastic constatns. The package is free and open-source, available on Github.

Disordered materials modelling and single crystal diffuse scattering calculator

Sublime Codefmt ⭐ 6

A Sublime Text plugin that allows applying code formatting with minimum configuration.

Castep_vca_scripts ⭐ 6

Scripts for interacting with CASTEP input and output files for simulations that model solid solutions using the virtual crystal approximation (VCA).

A code for calculating MBTR molecule/crystal structure representation. (https://arxiv.org/abs/1704.06439)

Soprano - a Python library to crack crystals!

Accelerated molecular crystal structure determination from powder diffraction data

Cif2cell Lammps ⭐ 5

My solutions for Exercism exercises

Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures

Contaminer ⭐ 5

ContaMiner is a rapid large-scale detection of contaminant crystals.

Phononmodes ⭐ 5

Python class to read in, store, and analyze phonon eigenvalues and eigenvectors.

Library and utilities for training volume estimation models with PyMoVE.

A python program for performing reciprocal space reconstruction from single crystal x-ray measurements.

Latticedynamics ⭐ 5

Python tools for phenomenological phonon calculations in the bulk and at surfaces

Quasicrystalgifs ⭐ 5

Generate animated gifs of quasicrystal patterns using sums of waves in the plane

A software for polarized neutron diffraction data analysis by a library CrysPy

Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory

Diffpy.srfit ⭐ 5

framework for complex modeling and atomic structure optimization

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