Starred repositories
ML-optimized library design with improved fitness and diversity for protein engineering
An online playground of diffusion model
The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)
PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).
Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks
Code used for developing and analyzing the results of the hybrid synthesis planner
Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
Create Customized Software using Natural Language Idea (through LLM-powered Multi-Agent Collaboration)
Generative Agents: Interactive Simulacra of Human Behavior
Software package for computer aided synthesis planning
Reinforcement Learning based bioretrosynthesis tool
Wrapper for RDKit's RunReactants to improve stereochemistry handling
itai-levin / chemoenzymatic-askcos
Forked from ASKCOS/askcos-baseBase image providing dependencies for ASKCOS Docker images
Data and model repository for the ASKCOS application
Learn OpenCV : C++ and Python Examples