Topic: potential-energy-surfaces Goto Github
Some thing interesting about potential-energy-surfaces
Some thing interesting about potential-energy-surfaces
potential-energy-surfaces,AUTOSURF is a powerful software designed to robustly compute electronic energies and incorporate them into a global potential energy surface (PES). The code completely automates all of the steps and procedures that go into fitting various classes of PESs, being well-suited for treating systems with highly-anisotropic interactions.
User: autosurf
Home Page: https://makeapes.wixsite.com/autosurf
potential-energy-surfaces,ALPES: Stochastic active learning of potential energy surfaces.
Organization: cfel-cmi
potential-energy-surfaces,Original codes of my master thesis
User: haoran-ni
potential-energy-surfaces,OpenAI Gym compatible environment for Reinforcement Learning on the Muller Brown potential energy surface
User: jjgoings
potential-energy-surfaces,Deep Neural Networks applied to representations of potential energy surfaces
User: kartikchugh
potential-energy-surfaces,PESMan - a program to manage global PES calculations
User: koushikphy
potential-energy-surfaces,This module enables to use potentials extracted from the literature. It has the following features: * One or several degrees of freedom * One or several electronic states * For each electronic state, the energy, gradient and hessian can be obtained in the diabatic or adiabatic representations
User: lauvergn
potential-energy-surfaces,Repository containing data and source code used in the article: "Long Range Parameter Optimization For The Description Of Potential Energy Surfaces Using Density Functional Theory"
User: m-obispo
potential-energy-surfaces,Calculate potential energy surface between two molecules
Organization: matrixlabtools
potential-energy-surfaces,Automated reaction pathway search for gas-phase molecules
Organization: zadorlab
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.