Topic: nwchem Goto Github
Some thing interesting about nwchem
Some thing interesting about nwchem
nwchem,Massively parallel electronic structure code for experimentation
User: alejandrogallo
Home Page: https://alejandrogallo.github.io/sisi4s
nwchem,Statistical model(s) for the prediction of NMR one-bond proton-carbon coupling constants to aid in computer assisted structure elucidation. The models are based on quantitative structure property descriptors calculated from mined literature data. Predictions were benchmarked against one-bond proton-carbon values computed via a quantum-mechanical approach by NWChem. A web based java application is developed embedding the developed prediction model(s). This web application completely automates the process of extraction of data from NWChem log files and the use the data for the one-bond coupling-constants prediction.
User: cs76
Home Page: http://jch.herokuapp.com/jch/
nwchem,The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL
Organization: friendsofecce
nwchem,Open source graphical interface to various DFT/Quantum chemistry codes
User: jannickweisshaupt
nwchem,YOU ARE IN A MAZE OF TWISTY LITTLE FORTRAN-FLAGS, ALL ALIKE.
User: jarvist
nwchem,Create ensemble-average partial charge input files for NWChem compatible with the GLYCAM force field.
User: lukasbaldauf
nwchem,NWChem: Open Source High-Performance Computational Chemistry
User: nwchemgit
Home Page: http://nwchemgit.github.io
nwchem,Automated compilation of NWChem on RHEL, CentOS, and Ubuntu.
User: rangsimanketkaew
nwchem,Singularity Recipe for NWChem
Organization: researchit
Home Page: https://www.singularity-hub.org/collections/339
nwchem,Easily submit job inputs to different clusters.
User: schneiderfelipe
nwchem,Run sets of computational chemistry calculations in batch.
User: schneiderfelipe
Home Page: https://github.com/schneiderfelipe/marathon
nwchem,Chebyshev propagator for RT-TDDFT module in NWChem
User: soumenchem
Home Page: https://sites.google.com/view/soumenchem/softwares/chebyshev-propagator?authuser=0
nwchem,SEMIEMP:Open source code for semiempirical qunatum chemistry calculations
User: soumenchem
Home Page: https://sites.google.com/view/soumenchem/semiemp-code?authuser=0
nwchem,A fork from original gabedit repository at sourceforge with better NWChem support
User: xomachine
nwchem,Queue for quantum chemistry software.
User: xomachine
nwchem,Automated NMR Chemical Shift Calculation
User: zaid-shekhani
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.