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Name: leeleolay
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Name: leeleolay
Type: User
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
Crystal graph convolutional neural networks for predicting material properties.
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties implemented based on the Paddle framework
A deep learning package for many-body potential energy representation and molecular dynamics
[ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
A library for graph deep learning research
Graphormer is a general-purpose deep learning backbone for molecular modeling.
Differentiable, Hardware Accelerated, Molecular Dynamics
codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
Public development project of the LAMMPS MD software package
LAMMPS configuration files
OpenMM is a toolkit for molecular simulation using high performance GPU code.
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
SchNetPack - Deep Neural Networks for Atomistic Systems
Python code for learning Molecular Dynamics simulations
[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
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.