DeePMD-kit plugin for various graph neural network models

Uncover meaningful structures of latent spaces learned by generative models with flows!

☁️ 🚀 📊 📈 Evaluating state of the art in AI

A Local Frame-based Atomistic Foundation Model

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

A program could search reaction network automatically and systematically.

MLFFOPS is a comprehensive workflow for training and managing machine learning force fields. It streamlines the process of generating accurate force field models using advanced machine learning tec…

Associated Repository for "Translation between Molecules and Natural Language"

Tool Learning for Big Models, Open-Source Solutions of ChatGPT-Plugins

Source code of paper 'Open Hierarchical Relation Extraction' (NAACL 2021)

Dataset and codes for ACL 2019 DocRED: A Large-Scale Document-Level Relation Extraction Dataset.