Hannes Stärk, Octavian Ganea, Lagnajit Pattanaik, Regina Barzilay, Tommi Jaakkola. EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction. In Kamalika Chaudhuri, Stefanie Jegelka, Le Song, Csaba Szepesvári, Gang Niu 0001, Sivan Sabato, editors, International Conference on Machine Learning, ICML 2022, 17-23 July 2022, Baltimore, Maryland, USA. Volume 162 of Proceedings of Machine Learning Research, pages 20503-20521, PMLR, 2022. [doi]
@inproceedings{StarkGPBJ22,
title = {EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction},
author = {Hannes Stärk and Octavian Ganea and Lagnajit Pattanaik and Regina Barzilay and Tommi Jaakkola},
year = {2022},
url = {https://proceedings.mlr.press/v162/stark22b.html},
researchr = {https://researchr.org/publication/StarkGPBJ22},
cites = {0},
citedby = {0},
pages = {20503-20521},
booktitle = {International Conference on Machine Learning, ICML 2022, 17-23 July 2022, Baltimore, Maryland, USA},
editor = {Kamalika Chaudhuri and Stefanie Jegelka and Le Song and Csaba Szepesvári and Gang Niu 0001 and Sivan Sabato},
volume = {162},
series = {Proceedings of Machine Learning Research},
publisher = {PMLR},
}