Beast code in Giters

Lu Chong's repositories

Message Passing Neural Networks for Molecule Property Prediction

Language:PythonNOASSERTION200

Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"

Language:PythonMIT100

DMQB 2017 Team Yellow data repository

GPL-3.01 10

This software experimentally estimates surface tensions for pure and binary solvents using the Lyderson-Joback-Reid method.

Language:PythonMIT100

Language:Python1 10

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

Language:PythonApache-2.0100

A powerful and flexible machine learning platform for drug discovery

Language:PythonApache-2.0100

Materials from the (virtual) 2020 RDKit UGM

Language:Jupyter Notebook100