UnicornH

awesome-ebm

Collecting research materials on EBM/EBL (Energy Based Models, Energy Based Learning)

diffusion-point-cloud

:thought_balloon: Diffusion Probabilistic Models for 3D Point Cloud Generation (CVPR 2021)

energy-based-scene-graph

Code release for Energy-Based Learning for Scene Graph Genertaion

DGPG

Code for paper Stochastic Deep Gaussian Processes over Graphs

ReMI-Net

Recurrent multigraph integrator network using graph neural network.

GNNs-in-Network-Neuroscience

A review of papers proposing novel GNN methods with application to brain connectivity published in 2017-2020.

bids-specification

Brain Imaging Data Structure (BIDS) Specification

DEGNN_node_classification

[DLG-AAAI'21] Revisiting Graph Neural Networks and Distance Encoding from a Practical View.

distance-encoding

Distance Encoding for GNN Design

P-GNN

Position-aware Graph Neural Networks

se3-transformer-pytorch

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

dMaSIF

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

adjacent-attention-network

Graph neural network message passing reframed as a Transformer with local attention

PointSite

PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms

awesome-point-cloud-analysis-2020

A list of papers and datasets about point cloud analysis (processing) since 2017. Update every day!

PyDGN

A research library for automating experiments on Deep Graph Networks

Implicit_Kernel_Attention

deep-implicit-attention

Implementation of deep implicit attention in PyTorch

DIG

A library for graph deep learning research

torchdrug

A powerful and flexible machine learning platform for drug discovery

PrettyErrors

Prettify Python exception output to make it legible.

EGCN

Energy-based Graph Convolutional Networks for Scoring Protein Docking Models

Awesome-Energy-Based-Models

learning material on energy based models

protein-ebm

Energy-based models for atomic-resolution protein conformations

energy_based_generative_models

PyTorch code accompanying our paper on Maximum Entropy Generators for Energy-Based Models

G-SchNet

G-SchNet - a generative model for 3d molecular structures

dimenet

DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)

PaddleHelix

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

graph-transformer-pytorch

Implementation of Graph Transformer in Pytorch, for potential use in replicating Alphafold2