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af_cluster

Predict multiple protein conformations using sequence clustering and AlphaFold2.

biobox

a toolbox for the manipulation, modelling and analysis of molecular structures

co-vae

colabfold

Making Protein folding accessible to all!

cvpr_dnri

Code accompanying "Dynamic Neural Relational Inference" from CVPR 2020

deep-graph-translation-

deep-learning-with-pytorch-tutorials

深度学习与PyTorch入门实战视频教程 配套源代码和PPT

deep-protein-generation

distanceprediction-protein-gan

flag

Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"

fnri

Factoried Neural Relational Inference for Multi-Interacting Systems

gmvae

Implementation of Gaussian Mixture Variational Autoencoder (GMVAE) for Unsupervised Clustering

gmvae-1

Repository for 'Interpretable embeddings from molecular simulations using gaussian mixture variational autoencoders'

gmvae-md

gmvae-pytorch

Pytorch implement of Variatinoal Autoencoder with Gaussian Mixture prior

graph-neural-networks-in-life-sciences

graph-neural-networks.github.io

This repo is for hosting our GNN book titled "Graph Neural Networks: Foundations, Frontiers, and Applications".

gvp

idp_flows

Normalizing flows-based generative modelling for IDPs

idpath

Deep Learning Can Identify Explainable Reasoning Paths of Mechanism of Drug Action for Drug Repurposing from Multilayer Biological Network

industrial-defect-diffusion-model

IDDM (NOT JUST INDUSTRIAL DEFECT~), support DDPM, DDIM and multi-GPU distributed training. Pytorch实现，生成模型，扩散模型，分布式训练

mdmachinelearning

The example codes for modified autoencoder

nri

Neural relational inference for interacting systems - pytorch

nri-md

Neural relational inference for molecular dynamics simulations

prodar

Protein Dynamically Activated Residues (ProDAR)

toolbox

Toolbox - generic utilities for data processing (e.g., parsing, proximity, guild scoring, etc...)

variationalrecurrentneuralnetwork

Pytorch implementation of the Variational Recurrent Neural Network (VRNN).

vde

Variational Autoencoder for Dimensionality Reduction of Time-Series

vgae_pytorch

This repository implements variational graph auto encoder by Thomas Kipf.

xena-web

landing page