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Name: Dionysios Sema
Type: User
Name: Dionysios Sema
Type: User
Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide"
Atomic interaction potentials based on artificial neural networks
Learning free energy landscapes using artificial neural networks
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A deep learning package for many-body potential energy representation and molecular dynamics
This repository contains implementations and illustrative code to accompany DeepMind publications
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
The deep potential generator
Generate and predict molecular electron densities with Euclidean Neural Networks
Evolutionary Algorithm using Python
Software for generating SNAP machine-learning interatomic potentials
An open-source Python package for creating fast and accurate interatomic potentials.
A many-body extension of the FLARE code.
Systematic force field optimization.
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
A machine learning procedure for ReaxFF force field development
Python implementation of the NEAT neuroevolution algorithm
NequIP is a code for building E(3)-equivariant interatomic potentials
Refactored ReaxFF parametrization project (that uses genetic algorithm + artificial neural network) to moreso comply with clean architecture.
Development version of plumed 2
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
python wrappers for generating training files for the ReaxFF code
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
Training code used to optimize reaxff force field (via LAMMPS)
Software Suite for Advanced General Ensemble Simulations
Master thesis: Post-visualization of pedestrian simulation data using the Unity game-engine
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.