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A conda-smithy repository for abinit.
:lipstick: Universal beautification package for Atom editor (:warning: Currently migrating to https://github.com/Unibeautify/ and have very limited bandwidth for Atom-Beautify Issues. Thank you for your patience and understanding :heart: )
Generates a comprehensive set of docking calculations to simplify automatic searches for off target binding.
This project maintains working examples for how to wrap up Fortran code to be used in other languages.
A repository for quantum chemistry basis sets
Use github action's to verifiy the compilation of BigDFT on a Mac
The BigDFT Notebook Experience
Colab notebooks to execute BigDFT school tutorials
A conda-smithy repository for bigdft-suite.
A project which demonstrates the interoperability of NTPoly and BigDFT
BOAST aims at providing a framework to metaprogram, benchmark and validate computing kernels
BigDFT Container Related Files
DBCSR: Distributed Block Compressed Sparse Row matrix library
DFTB+ general package for performing fast atomistic simulations
Automatically generates FORtran Documentation from comments within the code.
JSON Based Schema Describing A Fragment Module
A program to try and predict the properties of fullerenes based on geometric criteria.
A conda-smithy repository for gfortran_osx-64.
Post-process some conformers for duplicates.
Libint is a high-performance library for computing Gaussian integrals in quantum mechanics
A conda-smithy repository for libxc.
Automaticly generates code and documentation from a given namelist.
Convert Fortran namelists to JSON strings in memory.
A massively parallel library for computing the functions of sparse matrices.
A conda-smithy repository for ntpoly.
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.