Michael Kilgour

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 9

Top Topics

Generative And Discriminative Models

Maximum Entropy Principle

Top Venues

J. Comput. Phys.

Comput. Phys. Commun.

J. Chem. Inf. Model.

Publications

Michael Kilgour, Jutta Rogal, Mark E. Tuckerman
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose. CoRR (2024)
Michael Kilgour, Jutta Rogal, Mark Tuckerman
Geometric Deep Learning for Molecular Crystal Structure Prediction. CoRR (2023)
Moksh Jain, Emmanuel Bengio, Alex Hernández-García, Jarrid Rector-Brooks, Bonaventure F. P. Dossou, Chanakya Ajit Ekbote, Jie Fu, Tianyu Zhang, Michael Kilgour, Dinghuai Zhang, Lena Simine, Payel Das, Yoshua Bengio
Biological Sequence Design with GFlowNets. ICML (2022)
Michael Kilgour, Tao Liu, Ilya S. Dementyev, Lena Simine
E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands. J. Open Source Softw. 7 (74) (2022)
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernández-García, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning. CoRR (2022)
Moksh Jain, Emmanuel Bengio, Alex Hernández-García, Jarrid Rector-Brooks, Bonaventure F. P. Dossou, Chanakya Ekbote, Jie Fu, Tianyu Zhang, Michael Kilgour, Dinghuai Zhang, Lena Simine, Payel Das, Yoshua Bengio
Biological Sequence Design with GFlowNets. CoRR (2022)
Michael Kilgour, Lena Simine
Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials. J. Comput. Phys. 452 (2022)
Michael Kilgour, Tao Liu, Brandon D. Walker, Pengyu Y. Ren, Lena Simine
E2EDNA: Simulation Protocol for DNA Aptamers with Ligands. J. Chem. Inf. Model. 61 (9) (2021)
Roman Korol, Michael Kilgour, Dvira Segal
ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes. Comput. Phys. Commun. 224 (2018)