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Name: T. Daniel Crawford
Type: User
Company: Virginia Tech
Location: Blacksburg, Virginia
Name: T. Daniel Crawford
Type: User
Company: Virginia Tech
Location: Blacksburg, Virginia
A complex Hartree-Fock code for calculating AATs.
PSI4 Plugin to Test CC Implementation Using Ambit Tensor Library
PSI4 plugin to test new merged integral transformation and sorting for coupled cluster codes.
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.
Frozen Virtual Natural Orbitals
The Ghent Quantum Chemistry Package for electronic structure calculations
Learning Machine Learning
Modified CCSD python code with mixed-precision
General guidelines for using MolSSI logo, colors, and fonts.
Integrators for differential equations (work in progress)
C++ Programming Tutorial in Chemistry
Psi3 source code.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Simple PSI4 Plugin for Grabbing GAMESS MOs
PSI4 Plugin for libDPD Unit Testing
Combining Psi4 and Numpy for education and development.
Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
Test Bed for QMC Algorithms
Quantum chemistry program executor and IO standardizer (QCSchema).
Tools to work with psi4 for vibrational Raman optical activity
A computer algebra system written in pure Python
Testing PSI4 mapping
Unitary-Group Closed-Shell Møller-Plesset Code
PSI4 plugin to compute UHF natural orbitals.
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.