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alphaflow

AlphaFold Meets Flow Matching for Generating Protein Ensembles

auto-mate-for-tinder

Use Artificial Intelligence to find promiscuous Tinder matches

awesome-equivariant-network

Paper list for equivariant neural network

casp-rna

Pipeline used to assess RNA in CASP15

character-level-cnn

Keras implementation of Character-level CNN for Text Classification

chroma

A generative model for programmable protein design

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

draw_rna

Draw RNA secondary structures in python.

drfold

dump

efficient-gnns

Code and resources on scalable and efficient Graph Neural Networks

equiformer

[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

fastprogress

Simple and flexible progress bar for Jupyter Notebook and console

flask-mongodb

A simple REST Api using Flask-Restful and MongoDB

gated-graph-transformers

Transformers are Graph Neural Networks!

geometric-algebra-transformer

geometric-gnn-dojo

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

geometric-gnns

List of Geometric GNNs for 3D atomic systems

geometric-rna-design

gRNAde: Geometric Deep Learning for RNA Design

graph-convnet-tsp

Code for the paper 'An Efficient Graph Convolutional Network Technique for the Travelling Salesman Problem' (INFORMS Annual Meeting Session 2019)

graphein

Protein Graph Library

hands-on-natural-language-processing-with-python

Hands On Natural Language Processing with Python, published by Packt

knowledge-graphs

Building Knowledge Graphs from Unstructured Text

learning-paradigms-for-tsp

Code for the paper 'On Learning Paradigms for the Travelling Salesman Problem' (NeurIPS 2019 Graph Representation Learning Workshop)

learning-tsp

Code for the paper 'Learning TSP Requires Rethinking Generalization' (CP 2021)

lstm-context-embeddings

Augmenting word embeddings with their surrounding context using bidirectional RNN

mace

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

mace-layer

Higher order equivariant graph neural networks for 3D point clouds

markowitz-portfolio-optimization

Markowitz portfolio optimization on synthetic and real stocks

messagepassing_for_gnns

Experiments with Message Passing GNNs in C++ and PyTorch.