#chemistry · dorkhub

periodic-table-cli-py

An interactive Periodic Table of Elements app for the console!

Python★ 51

ascii-art chemistry cli command-line curses elements periodic-table-of-elements pip

@spirometaxas

mpmc

A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models

C★ 53

chemistry metal-organic-materials monte-carlo monte-carlo-simulation monte-carlo-simulations physics physics-simulation science

@space-group-research

faunus

A Framework for Metropolis Monte Carlo Simulation of Molecular Systems

C++★ 72

chemistry cpp metropolis-monte-carlo molecular-simulation monte-carlo-simulation physics-simulation

@mlund

ElectronVisualized

Public Archive: Beautiful and Elegant Quantum Mechanics Visualization.

JavaScript★ 75

chemistry computational-chemistry computational-physics electron flask flask-api math mathematical-modelling

@wonmor

chemcoord

A python module for manipulating cartesian and internal coordinates.

Python★ 88

chemical cheminformatics chemistry physics physics-simulation python python-library theoretical-spectroscopy

@mcocdawc

mcmd

Monte Carlo and Molecular Dynamics Simulation Package

C++★ 95

atomic chemistry crystal crystal-structure gas-dynamics gas-model molecular-dynamics molecular-dynamics-simulation

@khavernathy

mdgrad

Pytorch differentiable molecular dynamics

Python★ 188

chemistry differentiable-simulations force-field-optimization graph-neural-networks molecular-dynamics physics-simulation polymer quantum-dynamics

@torchmd

opem

OPEM (Open Source PEM Fuel Cell Simulation Tool)

Python★ 231

chemistry dynamic-analysis electrochemistry fuel-cell opem pem physics physics-simulation

@ECSIM

TensorMol

Tensorflow + Molecules = TensorMol

Python★ 277

chemistry force-field machine-learning meta-dynamics molecular-dynamics molecular-simulation molecules monte-carlo

@jparkhill

periodic-table-cli

An interactive Periodic Table of Elements app for the console!

JavaScript★ 298

ascii-art chemistry cli command-line elements javascript nodejs npx

@spirometaxas

matterviz

Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, pha…

TypeScript★ 353

chemistry d3 data-viz materials-science plotting svelte threejs

@janosh

sandboxels

In-browser falling-sand simulation game with over 500 elements and thousands of reactions.

JavaScript★ 440

browser-game canvas cellular-automata cellular-automaton chemistry chemistry-lab falling-sand html5-game

@R74nCom

awesome-python-chemistry

A curated list of Python packages related to chemistry

code★ 1.4k

atomistic-simulations chemistry computational-chemistry molecular-dynamics python-chemistry quantum-chemistry simulation

@lmmentel