Michael Kilgour

According to our database, Michael Kilgour authored at least 10 papers between 2018 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

MXtalTools: A Toolkit for Machine Learning on Molecular Crystals.

Michael Kilgour, Mark E. Tuckerman, Jutta Rogal

J. Chem. Inf. Model., 2026

2025

Multi-type point cloud autoencoder: a complete equivariant embedding for molecule conformation and pose.

Michael Kilgour, Mark E. Tuckerman, Jutta Rogal

Mach. Learn. Sci. Technol., 2025

2023

Geometric Deep Learning for Molecular Crystal Structure Prediction.

Michael Kilgour, Jutta Rogal, Mark E. Tuckerman

CoRR, 2023

2022

E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands.

Michael Kilgour, Tao Liu, Ilya S. Dementyev, Lena Simine

Dataset, May, 2022

E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands.

Michael Kilgour, Tao Liu, Ilya S. Dementyev, Lena Simine

J. Open Source Softw., 2022

Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials.

Michael Kilgour, Lena Simine

J. Comput. Phys., 2022

Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning.

Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernández-García, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine

CoRR, 2022

Biological Sequence Design with GFlowNets.

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

Proceedings of the International Conference on Machine Learning, 2022

2021

E2EDNA: Simulation Protocol for DNA Aptamers with Ligands.

Michael Kilgour, Tao Liu, Brandon D. Walker, Pengyu Y. Ren, Lena Simine

J. Chem. Inf. Model., 2021

2018

ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes.

Roman Korol, Michael Kilgour, Dvira Segal

Comput. Phys. Commun., 2018