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graphite

Code for Graphite iterative graph generation

graphmvp

graphormer

This is the official implementation for "Do Transformers Really Perform Bad for Graph Representation?".

graphtrans

Representing Long-Range Context for Graph Neural Networks with Global Attention

graphtransformer

Graph Transformer Architecture. Source code for "A Generalization of Transformer Networks to Graphs", DLG-AAAI'21.

grasp

grover

This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data

gvp

Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure

gvp-pytorch

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

hamnet

null

helium_project

Python animation of Helium in 2 excited states by computing wavefunctions in time

heterodimer-interface-design

Designing beta-sheet HBnet interface on Rosetta Commons

hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

hierarchical-molecular-learning

Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)

holographic-vae

holoprot

Multi-Scale Representation Learning on Proteins (NeurIPS 2021)

homework_2020

Homeworks

hot

Official implementation of Higher-Order Transformers for sets, graphs, and hypergraphs in PyTorch

ibm3202

Google Colab Tutorials for IBM3202

idr_design_w_data

innterfacedesign

int2cart

Building more accurate protein structures from backbone torsion angles

interdocker

intro_dgm

An Introduction to Deep Generative Modeling: Examples

lab_2021

Repository for all the labs for Spring 2021

lambo

Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)

learnable_fourier_positional_encoding

Learnable Fourier Features for Multi-Dimensional Spatial Positional Encoding

learning-bioinformatics-at-home

resources for learning bioinformatics

leveraging

Leveraging Local and Global Patterns for Self-Attention Networks

lstm-attention

Attention-based bidirectional LSTM for Classification Task (ICASSP)