Jie Zhang

4PUBLICATIONS
4CO-AUTHORS
Biomolecular modelling and designCondensed matter modelling and density functional theoryDeep learningTheoretical quantum chemistry
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Publications (4)

|Jul 06, 2022
De Novo Molecule Design Using Molecular Generative Models Constrained by Ligand-Protein Interactions.

Jie Zhang, Hongming Chen

|Jun 04, 2021
A general QSPR protocol for the prediction of atomic/inter-atomic properties: a fragment based graph convolutional neural network (F-GCN).

Peng Gao, Jie Zhang, Hongbo Qiu

|May 21, 2021
Comparative Study of Deep Generative Models on Chemical Space Coverage.

Jie Zhang, Rocío Mercado, Ola Engkvist

|Nov 05, 2020
Toward Accurate Predictions of Atomic Properties via Quantum Mechanics Descriptors Augmented Graph Convolutional Neural Network: Application of This Novel Approach in NMR Chemical Shifts Predictions.

Peng Gao, Jie Zhang, Yuzhu Sun

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Frequent Collaborators

2 joint publications

Peng Gao

1 joint publications

Ola Engkvist

1 joint publications

Shuaifei Zhao

1 joint publications

Hongming Chen