qcmm Goto Github PK
Name: Quantum Chemistry & Molecular Modeling Gruop
Type: Organization
Name: Quantum Chemistry & Molecular Modeling Gruop
Type: Organization
A binding energy evaluation platform (BEEP) and database for molecules on interstellar ice-grain mantels
Respositorio del curso "Introducción a la programación en Python"
Material para cursos de química cuántica
atomic properties from QM calculation during MD simulations
Python tool for environment specific D-MBIS atomic charges derivation.
Material y laboratorio para curso de estructura electrónica y reactividad química.
Derivation of non-bonded non-polarizable force field paramaters from Atom in Molecule properties
Derivation of non-bonded non-polarizable force field parameters from Atom in Molecule properties.
Laboratorios de la asignatura Fisicoquímica III
Geometry optimization code that includes the TRIC coordinate system
HORTON module for I/O with different file formats
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Material of the Python for Chemistry workshop
Quantum chemistry program executor and IO standardizer (QCSchema).
A distributed compute and database platform for quantum chemistry.
A client interface to the QCArchive Project (read-only image of QCFractal)
A programa to interpolate between rigid rotor and harmonic oscialtor aproximation for the computation of the entropy contribiution of low frequency normal modes
Material y jupyter notebooks para la asignatura
Worshop repository of the "Symposium on Molecular Interactions in Chemistry and Biology 2017"
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
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.