Michael Kilgour

11 papers A* 1Journal 10
YearRankTypeTitle / Venue / Authors
2025 J jnl
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals.
CoRR
Michael Kilgour, Mark E. Tuckerman, Jutta Rogal
2025 J jnl
Multi-type point cloud autoencoder: a complete equivariant embedding for molecule conformation and pose.
Mach. Learn. Sci. Technol.
Michael Kilgour, Mark E. Tuckerman, Jutta Rogal
2024 J jnl
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose.
CoRR
Michael Kilgour, Jutta Rogal, Mark E. Tuckerman
2023 J jnl
Geometric Deep Learning for Molecular Crystal Structure Prediction.
CoRR
Michael Kilgour, Jutta Rogal, Mark E. Tuckerman
2022 A* conf
Biological Sequence Design with GFlowNets.
ICML
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
2022 J jnl
Biological Sequence Design with GFlowNets.
CoRR
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
2022 J jnl
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning.
CoRR
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernández-García, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
2022 J jnl
E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands.
J. Open Source Softw.
Michael Kilgour, Tao Liu, Ilya S. Dementyev, Lena Simine
2022 J jnl
Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials.
J. Comput. Phys.
Michael Kilgour, Lena Simine
2021 J jnl
E2EDNA: Simulation Protocol for DNA Aptamers with Ligands.
J. Chem. Inf. Model.
Michael Kilgour, Tao Liu, Brandon D. Walker, Pengyu Y. Ren, Lena Simine
2018 J jnl
ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes.
Comput. Phys. Commun.
Roman Korol, Michael Kilgour, Dvira Segal