Pinned Repositories
aizynthfinder
A tool for retrosynthetic planning
alfabet
Machine learning predictions of bond dissociation energy
AutoSynRoute
ChemoEnzymaticSynthesis
Computer-assisted multistep chemoenzymatic retrosynthesis using a chemical synthesis planner
chemprop
Message Passing Neural Networks for Molecule Property Prediction
EasIFA
Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Parrot
Implementation of reaction condition prediction with Parrot
RetroPrime
Code for Single-step Retrosynthesis model Retroprime
Retrosynthesis-pathway-ranking
wangxr0526's Repositories
wangxr0526/RetroPrime
Code for Single-step Retrosynthesis model Retroprime
wangxr0526/EasIFA
Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”
wangxr0526/Parrot
Implementation of reaction condition prediction with Parrot
wangxr0526/aizynthfinder
A tool for retrosynthetic planning
wangxr0526/alfabet
Machine learning predictions of bond dissociation energy
wangxr0526/ChemoEnzymaticSynthesis
Computer-assisted multistep chemoenzymatic retrosynthesis using a chemical synthesis planner
wangxr0526/chemprop
Message Passing Neural Networks for Molecule Property Prediction
wangxr0526/DECIMER.ai
This repository contains the code for https://decimer.ai
wangxr0526/hyperopt
Distributed Asynchronous Hyperparameter Optimization in Python
wangxr0526/jsme-editor.github.io
wangxr0526/DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
wangxr0526/nfp
Keras layers for end-to-end learning on molecular structure.
wangxr0526/ollama
Get up and running with Llama 3, Mistral, Gemma, and other large language models.
wangxr0526/open-webui
User-friendly WebUI for LLMs (Formerly Ollama WebUI)
wangxr0526/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
wangxr0526/pytorch_geometric
Geometric Deep Learning Extension Library for PyTorch
wangxr0526/Reinvent
wangxr0526/retrosim_enz
Enzymatic retrosynthesis by similarity
wangxr0526/RetroXpert
wangxr0526/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping
wangxr0526/screenshot-to-code
Drop in a screenshot and convert it to clean code (HTML/Tailwind/React/Vue)
wangxr0526/ShiArthur03
wangxr0526/SuzukiConditions
Predicting conditions for Suzuki coupling
wangxr0526/SynNet
wangxr0526/template-python-flask
The Flaskr template, configured for Gitpod (www.gitpod.io) to give you pre-built, ephemeral development environments in the cloud.
wangxr0526/templatecorr
Hierarchical template correction for chemical reactions
wangxr0526/TGSA
PyTorch implementation of <<TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarity Augmentation>>
wangxr0526/v2ray-core
A platform for building proxies to bypass network restrictions.
wangxr0526/wangxr0526.github.io
wangxr0526/webdav-aliyundriver