xyz2graphConvert an xyz file into a molecular graph and create a 3D visualisation of the graph.
Stars: ✭ 36 (-60.87%)
griding🧱 lean grid & responsive for react
Stars: ✭ 18 (-80.43%)
molassemblerChemoinformatics toolkit with support for inorganic molecules
Stars: ✭ 18 (-80.43%)
SSComposeCookBookA Collection of major Jetpack compose UI components which are commonly used.🎉🔝👌
Stars: ✭ 386 (+319.57%)
global-chemA Chemical Knowledge Graph of What is Common in the World.
Stars: ✭ 77 (-16.3%)
nice-react-layoutCreate complex and nice Flexbox-based layouts, without even knowing what flexbox means
Stars: ✭ 70 (-23.91%)
mddatasetbuilderA script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
Stars: ✭ 23 (-75%)
examplesspeedata Publisher examples
Stars: ✭ 25 (-72.83%)
qp2Quantum Package : a programming environment for wave function methods
Stars: ✭ 37 (-59.78%)
lipglossStyle definitions for nice terminal layouts 👄
Stars: ✭ 5,453 (+5827.17%)
mongodb-chemistryIdeas for chemical similarity searches in MongoDB.
Stars: ✭ 23 (-75%)
dynamic-motionProvide additional functionality to Android MotionLayout.
Stars: ✭ 34 (-63.04%)
bubble-layoutAn Android ViewGroup that displays avatar bubbles... similar to the chat bubbles on Facebook Messenger.
Stars: ✭ 46 (-50%)
QUICKQUICK: A GPU-enabled ab intio quantum chemistry software package
Stars: ✭ 79 (-14.13%)
FillProgressLayoutA simple and flexible Fillable Progress Layout written in Kotlin
Stars: ✭ 77 (-16.3%)
senpaiMolecular dynamics simulation software
Stars: ✭ 124 (+34.78%)
copperAn open source PCB editor in rust
Stars: ✭ 26 (-71.74%)
vue-layout-systemA pack of Vue components that solve daily layout problems
Stars: ✭ 31 (-66.3%)
chemispyA library for using chemistry in your applications
Stars: ✭ 28 (-69.57%)
OpenFramesRealtime interactive scientific visualization API
Stars: ✭ 28 (-69.57%)
layoutsWraps templates with layouts. Layouts can use other layouts and be nested to any depth. This can be used 100% standalone to wrap any kind of file with banners, headers or footer content. Use for markdown, HTML, handlebars views, lo-dash templates, etc. Layouts can also be vinyl files.
Stars: ✭ 28 (-69.57%)
PandaDemoDemo project for asynchronous render and Layout framework Panda
Stars: ✭ 15 (-83.7%)
chanimAnimation engine for explanatory chemistry videos
Stars: ✭ 89 (-3.26%)
TableViewKitEmpowering UITableView with painless multi-type cell support and built-in automatic state transition animations
Stars: ✭ 105 (+14.13%)
NwchemNWChem: Open Source High-Performance Computational Chemistry
Stars: ✭ 227 (+146.74%)
violet🔮 Violet Jekyll Template
Stars: ✭ 38 (-58.7%)
Rmg PyPython version of the amazing Reaction Mechanism Generator (RMG).
Stars: ✭ 198 (+115.22%)
isotopeHaskell library containing isotopic masses and relative abundances for elements from Hydrogen to Bismuth and Thorium and Uranium (excluding Technetium and promethium), i.e., all elements with naturally-occurring isotopes.
Stars: ✭ 17 (-81.52%)
ChemlabThe chemistry library you were waiting for
Stars: ✭ 187 (+103.26%)
PyBoxA box-model that automatically creates and solves equations used to describe the evolution in atmospheric composition using Python with Numba and, optionally, Fortran.
Stars: ✭ 30 (-67.39%)
PubchempyPython wrapper for the PubChem PUG REST API.
Stars: ✭ 171 (+85.87%)
graph-nvpGraphNVP: An Invertible Flow Model for Generating Molecular Graphs
Stars: ✭ 69 (-25%)
AvogadrolibsAvogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Stars: ✭ 164 (+78.26%)
pem-dataset1Proton Exchange Membrane (PEM) Fuel Cell Dataset
Stars: ✭ 48 (-47.83%)
ChemdataextractorAutomatically extract chemical information from scientific documents
Stars: ✭ 152 (+65.22%)
html-integrationsThe official JavaScript library for MathType, the leading formula editor and equation writer for the web by Wiris
Stars: ✭ 36 (-60.87%)
Ase aniANI-1 neural net potential with python interface (ASE)
Stars: ✭ 145 (+57.61%)
rc-dockDock Layout for React Component
Stars: ✭ 318 (+245.65%)
chempropFast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Stars: ✭ 75 (-18.48%)
mdgradPytorch differentiable molecular dynamics
Stars: ✭ 127 (+38.04%)
Dwsim5DWSIM - Open Source Chemical Process Simulator (5.x series)
Stars: ✭ 120 (+30.43%)
mate-tweakTweak tool for the MATE Desktop
Stars: ✭ 57 (-38.04%)
Fluid-GridFluid, Responsive and Semantic grid for Sass (SCSS) or LESS CSS. Supports any number of columns. Gutter width is defined as percentage, and grids can be nested too.
Stars: ✭ 17 (-81.52%)
AMPLThe ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
Stars: ✭ 85 (-7.61%)
AutoForceSparse Gaussian Process Potentials
Stars: ✭ 17 (-81.52%)
BrushEffectThis is a simple animation effect for any android view.
Stars: ✭ 23 (-75%)
CATmistryChemistry, Gamified
Stars: ✭ 15 (-83.7%)