Skip to content
View mliu49's full-sized avatar

Block or report mliu49

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
Showing results

Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search

Jupyter Notebook 142 33 Updated Jul 9, 2022

Hierarchical template correction for chemical reactions

Python 14 6 Updated Aug 9, 2024

Data and model repository for the ASKCOS application

Dockerfile 16 7 Updated Feb 24, 2022

Python package for the ASKCOS platform for prediction of chemical reactivity

Python 17 14 Updated Feb 24, 2022

Deployment scripts and utilities for the ASKCOS web application

Shell 7 7 Updated Feb 24, 2022

Web application for the ASKCOS platform for prediction of chemical reactivity

HTML 3 10 Updated Feb 24, 2022

Message Passing Neural Networks for Atomic/Bond Property Prediction

Python 17 2 Updated Dec 8, 2020

Documentation and sample code for using the CAS SciFinder-n API

TypeScript 4 2 Updated Dec 21, 2021

Message Passing Neural Networks for Molecule Property Prediction

Python 1,907 613 Updated Mar 13, 2025

Software package for computer aided synthesis planning

Python 223 55 Updated Nov 27, 2023

A tool for retrosynthetic planning

Python 634 140 Updated Jan 8, 2025

ARC - Automatic Rate Calculator

Python 44 23 Updated Mar 17, 2025

A Django-powered website for Reaction Mechanism Generator (RMG)

Python 21 29 Updated Feb 14, 2025

The database of chemical parameters used with Reaction Mechanism Generator

Python 103 146 Updated Mar 13, 2025

Python version of the amazing Reaction Mechanism Generator (RMG).

Python 431 235 Updated Mar 14, 2025