tingweidaniel

Pinned Repositories

chemprop_atomicfp_save_depth_final
Progressing. This improvement is based on the previous work, https://github.com/chemprop/chemprop
Language:HTML11
ASKCOS
Language:Python00
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:HTML00
conv_qsar_fast
Language:Python00
DataDrivenEstimator
A package of major data driven estimators for thermochemistry and kinetics
Language:Python00
git_test_0809
Practice
Language:Python00
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Language:Python00

tingweidaniel's Repositories

tingweidaniel/chemprop_atomicfp_save_depth_final
Progressing. This improvement is based on the previous work, https://github.com/chemprop/chemprop
Language:HTML11
tingweidaniel/ASKCOS
tingweidaniel/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:HTML
tingweidaniel/icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
tingweidaniel/git_test_0809
Practice
Language:Python
tingweidaniel/DataDrivenEstimator
A package of major data driven estimators for thermochemistry and kinetics
Language:Python
tingweidaniel/conv_qsar_fast
Language:Python