chonglu121 Goto Github PK
Name: Lu Chong
Type: User
Lu Chong's Projects
chemprop
Message Passing Neural Networks for Molecule Property Prediction
chiro
Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
dmqp_2017_team_yellow
DMQB 2017 Team Yellow data repository
mljr
This software experimentally estimates surface tensions for pure and binary solvents using the Lyderson-Joback-Reid method.
second_stru_predictor
secse
Systemic Evolutionary Chemical Space Exploration for Drug Discovery
torchdrug
A powerful and flexible machine learning platform for drug discovery
ugm_2020
Materials from the (virtual) 2020 RDKit UGM
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