Topic: ab-initio-simulations Goto Github
Some thing interesting about ab-initio-simulations
Some thing interesting about ab-initio-simulations
ab-initio-simulations,Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.
Organization: aimat-lab
ab-initio-simulations,Sparse Gaussian Process Potentials
User: amirhajibabaei
ab-initio-simulations,symbolic collective variable definitions and automation of metadynamics
User: amirhajibabaei
ab-initio-simulations,Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials at both zero and finite temperatures
User: gmp007
ab-initio-simulations,Hop.jl has been renamed to HopTB.jl and moved to https://github.com/HopTB/HopTB.jl
Organization: hop-developers
ab-initio-simulations,Tight-binding package written in Julia
Organization: hoptb
ab-initio-simulations,A Modern DFT + DMFT Computation Framework
User: huangli712
ab-initio-simulations,Python wrappers for TurboRVB
User: kousuke-nakano
Home Page: https://turborvb.sissa.it
ab-initio-simulations,The command-line interface of Express.jl
Organization: mineralscloud
ab-initio-simulations,A Julia package that provides operations of a database with pseudopotential datasets
Organization: mineralscloud
Home Page: https://mineralscloud.github.io/Pseudopotentials.jl/
ab-initio-simulations,Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
Organization: mineralscloud
Home Page: https://mineralscloud.github.io/QuantumESPRESSOBase.jl/
ab-initio-simulations,Deep neural networks for density functional theory Hamiltonian.
User: mzjb
ab-initio-simulations,Extended DeepH (xDeepH) method for magnetic materials.
User: mzjb
ab-initio-simulations,A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
User: nakib
ab-initio-simulations,Study of molecular motion of Glycerol using NMR modeling and simulations
User: ninjab3381
Home Page: https://github.com/ninjab3381/nmr_glycerol
ab-initio-simulations,VASP input files required to conduct ab initio MD simulation of a short polyurethane chain.
User: nuwan-d
ab-initio-simulations,Quantum Visualization Interacting Toolkit for Ab-initio Simulations
Organization: quantumvitas
Home Page: https://www.quantumvitas.org
ab-initio-simulations,SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ordered structures corresponding to a given disordered structure.
Organization: shry-project
ab-initio-simulations,Quantum Monte Carlo package, TurboRVB
Organization: sissaschool
Home Page: https://turborvb.sissa.it
ab-initio-simulations,This repository contains all material related to the project done as a part of the course Computational Systems Biology (BT5240) in the Spring 2020 semester.
User: sowmyamanojna
Home Page: https://sowmyamanojna.github.io/Ab-initio-Synthesis-of-Amino-Acids/
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.