Large language models to generate stable crystals.

The simplest, fastest repository for training/finetuning medium-sized GPTs.

A Large Language Model of the CIF format for Crystal Structure Generation

Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.

A curated list of awesome robot descriptions (URDF, MJCF)

alpha shape generator using CGAL

[ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen

n2p2 - A Neural Network Potential Package

CrySPY is a crystal structure prediction tool written in Python.

How good are LLMs at chemistry?

Library for computing persistent homology

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

🔥🔥🔥Official Codebase of "DiT-3D: Exploring Plain Diffusion Transformers for 3D Shape Generation"

Sora AI Awesome List – Your go-to resource hub for all things Sora AI, OpenAI's groundbreaking model for crafting realistic scenes from text. Explore a curated collection of articles, videos, podca…

An open-source remote desktop application designed for self-hosting, as an alternative to TeamViewer.

The templete for the web interactive ESF maps

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)

This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials

Open-Sora: Democratizing Efficient Video Production for All

List of Molecular and Material design using Generative AI and Deep Learning

Coarse-grained Diffusion for Metal-Organic Framework Design

GaLore: Memory-Efficient LLM Training by Gradient Low-Rank Projection

Algorithm and experiment code in the paper DKIBO

A machine learning implementation of an interpretable model for membrane separation performance prediction of COFs materials.