A code to generate atomic structure with symmetry

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

📐 Symmetry-corrected RMSD in Python

[NeurIPS 2022] The implementation for the paper "Learning Physical Dynamics with Subequivariant Graph Neural Networks".

Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.

[NeurIPS 2024] Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling

A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.

Point symmetry analysis tool for theoretical chemistry objects

[ICML 2023 Oral] Official environments and implementations for "Subequivariant Graph Reinforcement Learning in 3D Environments"

Python library to determine the point group of molecular geometries

A python package using machine learning to study symmetry.

This repository is the official implementation of Symmetry-Aware Robot Design with Structured Subgroups

Code for "Time-Reversal Symmetric ODE Network (NeurIPS 2020)"

Auto symmetry image bot for Hikakin and Seikin

[ICML 2024] Official environments and JAX-implementations for "Subequivariant Reinforcement Learning in 3D Multi-Entity Physical Environments"

A python command line interface to obtain symmetry information from structure file.

🔬motif-learn: machine learning in scanning transmission electron microscopy

LTB-Symm is a publicly available code that does two things: large scale tight-binding (LTB) calculation of 2D materials, and checks topological symmetries (Symm) of their wave functions.

A collection of MDPs with symmetries, implemented based on DeepMind Control Suite