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Source code accompanying the 'Modelling local and general quantum mechanical properties with attention-based pooling' paper
Crystal graph convolutional neural networks for predicting material properties.
A complete computer science study plan to become a software engineer.
DSA final project
🧑🏫 60 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠
Predicting CCSD(T)/CBS level chemical shieldings for H/C/N/O using wB97X-V/pcSseg-1 level DFT calculations
Code Repository for Machine Learning with PyTorch and Scikit-Learn
A PyTorch implementation of `MagNet: a Two-Pronged Defense against Adversarial Examples`
MatDeepLearn, package for graph neural networks in materials chemistry
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Code for the paper "Predicting thermophysical properties through model-based transfer learning using graph convolutional networks"
Source code accompanying the 'Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting' paper
MGCN: Semi-supervised Classification in Multi-layer Graphs with Graph Convolutional Networks
SchNetPack - Deep Neural Networks for Atomistic Systems
script
This repo contains the codes to run solvation free energy prediction.
Open Catalyst Project's library of machine learning methods for catalysis
A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks
Config files for my GitHub profile.
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.