Kangway V. Chuang

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 7

Top Topics

Proximity Graph

Message Passing

Mass Spectrometry Data

Top Venues

J. Chem. Inf. Model.

Publications

Zachary J. Gale-Day, Laura Shub, Kangway V. Chuang, Michael J. Keiser
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks. J. Chem. Inf. Model. 64 (14) (2024)
Nathaniel Lee Diamant, Alex M. Tseng, Kangway V. Chuang, Tommaso Biancalani, Gabriele Scalia
Improving Graph Generation by Restricting Graph Bandwidth. ICML (2023)
Colin A. Grambow, Hayley Weir, Nathaniel L. Diamant, Alex M. Tseng, Tommaso Biancalani, Gabriele Scalia, Kangway V. Chuang
RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion. CoRR (2023)
Colin A. Grambow, Hayley Weir, Christian N. Cunningham, Tommaso Biancalani, Kangway V. Chuang
CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning. CoRR (2023)
Nathaniel Diamant, Alex M. Tseng, Kangway V. Chuang, Tommaso Biancalani, Gabriele Scalia
Improving Graph Generation by Restricting Graph Bandwidth. CoRR (2023)
Austin Atsango, Nathaniel L. Diamant, Ziqing Lu, Tommaso Biancalani, Gabriele Scalia, Kangway V. Chuang
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning. CoRR (2022)
Kangway V. Chuang, Michael J. Keiser
Attention-Based Learning on Molecular Ensembles. CoRR (2020)