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Name: Chrinide
Type: User
Bio: [email protected]
Name: Chrinide
Type: User
Bio: [email protected]
WebGL accelerated JavaScript molecular graphics library
DFTB 3ob parameters
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
ab-Initio Configuration Sampling tool kit (abICS)
Multipurpose ab initio MD program.
Open-source library for analyzing the results produced by ABINIT
Producing absorption spectra using electric-dipole moment data from real-time time-dependent electronic structrure calculations.
A Computational Chemistry DataBase
An Very Old Realtivistic Quantum Chemistry CODE
A Python implementation of the Ant Colony Optimization Meta-Heuristic
Database interface program for the development of ACPs
Adaptative Hybrid Extreme Rotation Forest (AdaHERF)
ADC(2) electronic structure code
adcc: Seamlessly connect your QC program to ADC
Machine Learning classifiers and examples from the graduate class at Stony Brook with Prof. Leman Akoglu. Adaboost, EM, HMM, KNN, Naive Bayes vs. Logistic Regression.
Codes for the paper "Atomic effective potentials for starting molecular electronic structure calculations"
Convert Amesp output file to Gaussian-like format.
Adaptive finite differencing archives for versions 5.2 and 5.3.
Tools to compute NMR chemical shifts for biomolecules
Extensions to the PySCF AGF2 module
Amons with up to 7 heavy atoms for GDB7 and ZINC
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
AiiDA Plugin for Gaussian Basissets and Pseudopotentials
Repository of the aim2dat python package.
A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
A simple bash script to convert FHI-aims geometry.in files to a VASP-compatible format
A repository for the representation and manipulation of AIMS-type trajectories, particularly for use in computing time-dependent properties (bond lengths, angles, torsions, X-ray scattering, UED, photoelectron, UV-Vis, etc) in a semi-uniform manner.
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.