changzhijiang Goto Github PK

2021-cvpr-completer

PyTorch implementation for COMPLETER: Incomplete Multi-view Clustering via Contrastive Prediction (CVPR 2021)

3d-pgt

KDD-23 Automated 3D Pre-Training for Molecular Property Prediction

3dlinker

An E(3) Equivariant Variational Autoencoder for Molecular Linker Design

alignedreid-re-production-pytorch

Reproduce AlignedReID: Surpassing Human-Level Performance in Person Re-Identification, using Pytorch.

awesome-gflownets

A curated list of resources about generative flow networks (GFlowNets).

awesome-gnn-recommendation

Graph Neural Network

awesome-ml-for-cybersecurity

:octocat: Machine Learning for Cyber Security

awesome-pretrain-on-molecules

A curated list of resources for molecular pre-trained models or chemical language models

awesome-rspapers

Recommender System Papers

awesome-visual-diffusion-models

A collection of resources and papers on Visual Diffusion Models.

bine

BiNE: Bipartite Network Embedding

biobert

BioBERT: a pre-trained biomedical language representation model

cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

changzhijiang

Config files for my GitHub profile.

chembo

Bayesian optimization framework for organic molecules with synthesizable recommendations

chemformer

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

chroma

A generative model for programmable protein design

core

CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)

cress

Cross-model Retrieval between 13C NMR Spectrum and Structure

cross-stitch-networks-for-multi-task-learning

A Tensorflow implementation of the paper arXiv:1604.03539

csgnn

cvae-gan-zoos-pytorch-beginner

For beginner, this will be the best start for VAEs, GANs, and CVAE-GAN. This contains AE, DAE, VAE, GAN, CGAN, DCGAN, WGAN, WGAN-GP, VAE-GAN, CVAE-GAN. All use PyTorch.

cyclegt

code of CycleGT

ddim

Denoising Diffusion Implicit Models

deep-drug-coder

A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

deep-molecular-massspec

Mass Spectrometry for Small Molecules using Deep Learning

deepei

Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks

deepnovov2

Pytorch implementation of DeepNovoV2, a state-of-the-art de novo peptide sequencing model.

deeppurpose

A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening