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Name: ycpei
Type: User
Name: ycpei
Type: User
Atoms In Molecules Neural Network Potential
attempt
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
my attempt
Crystal graph convolutional neural networks for predicting material properties.
Convolutional Neural Network for Text Classification in Tensorflow
Codebase for Cormorant Neural Networks
A deep learning package for many-body potential energy representation and molecular dynamics
DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)
Deep Tensor Neural Network
Benchmarking equivariant neural networks.
ENCODE / DNA nexus pipeline for file validation
Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules
Graph convolution with tf.keras
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
python library for atomistic machine learning
Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
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
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
NequIP is a code for building E(3)-equivariant interatomic potentials
Neural Network Force Field based on PyTorch
Code for training PhysNet models
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
SchNet - a deep learning architecture for quantum chemistry
SchNetPack - Deep Neural Networks for Atomistic Systems
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
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.