A modular framework for neural networks with Euclidean symmetry

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Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt

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An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix

Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…

An open-source Python package for creating fast and accurate interatomic potentials.

Recommend new arxiv papers of your interest daily according to your Zotero libarary.

This is a conditionally generative model for crystal structures based on a modified version of CDVAE.

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In How Diffusion Models Work, you will gain a deep familiarity with the diffusion process and the models which carry it out. More than simply pulling in a pre-built model or using an API, this cour…

Course: Diffusion Generative AI for Computer Vision and Science

scalable molecular simulation

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An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

This is an official implementation for "Swin Transformer: Hierarchical Vision Transformer using Shifted Windows".

An official implementation of Pangu-Weather

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Code and resources for Machine Learning for Algorithmic Trading, 2nd edition.

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AKShare is an elegant and simple financial data interface library for Python, built for human beings! 开源财经数据接口库

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