andysim Goto Github PK
Name: Andy Simmonett
Type: User
Company: QC Ware
Name: Andy Simmonett
Type: User
Company: QC Ware
Molecule drawing program
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
A fast domain decomposition based implementation of the COSMO solvation model
An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),
Systematic force field optimization.
Fast computation of a gaussian and its derivative on a grid.
helPME: an efficient library for particle mesh Ewald
A C++ library for the efficient evaluation of integrals over effective core potentials.
Libint is a high-performance library for computing Gaussian integrals in quantum mechanics
Modified CCSD python code with mixed-precision
OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
An OpenMM toolkit with test systems, integrators, and alchemical support
POLTYPE AMOEBA parameterization tool
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Combining Psi4 and Numpy for education and development.
Server automation framework and application
Simple code snippets demoing linking Python and C++, using CMake to build.
Pilot implementations of the SGT algorithm for electrostatics
Code snippets to aid the implementation of spherical harmonic multipole energies, forces and torques.
TINKER Software Tools for Molecular Design
A test suite for Tinker
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.