dhw059 Goto Github PK

ai4stem

AI-based analytical tools for the analysis of STEM images.

airs

Artificial Intelligence Research for Science (AIRS)

ais-square

alphacrystal

AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction

ase

aviary

The Wren sits on its Roost in the Aviary.

awesome-ai-papers

A curated list of the most impressive AI papers

batterymanagementsystem

Integrated software for comprehensive BMS strategy validation, SOC accuracy estimation, cell boundary definition, and battery data analysis.

batterynet

Deep-learning based image segmentation of volumetric microCT scans of a lithium-metal battery on NERSC

bayesianoptimization

A Python implementation of global optimization with gaussian processes.

bgolearn

A Bayesian global optimization package for material design ｜ Adaptive Learning | Active Learning

cegann

Crystal Edge Graph Attention Neural Network

chatdev

Create Customized Software using Natural Language Idea (through LLM-powered Multi-Agent Collaboration)

chemmatdata

An overview over chemical datasets and where to find them

crabnet

Predict materials properties using only the composition information!

cryslator

crystal-twins

crystalgnns

deepergnn

Official PyTorch implementation of "Towards Deeper Graph Neural Networks" [KDD2020]

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

deepmodelfusion

L-G-DCNN improves material property predictions with a fusion strategy based on Chemical Environment Classification Vector.

deepspeed

DeepSpeed is a deep learning optimization library that makes distributed training and inference easy, efficient, and effective.

densegnn

DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules

dig

A library for graph deep learning research

fairseq

Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

gcnn_keras

Graph convolutions in Keras with TensorFlow, PyTorch or Jax.

ggnn4science

gnn

TensorFlow GNN is a library to build Graph Neural Networks on the TensorFlow platform.

good

GOOD: A Graph Out-of-Distribution Benchmark [NeurIPS 2022 Datasets and Benchmarks]

graphedit

"GraphEdit: Large Language Models for Graph Structure Learning"