56,966 blogs · [ { "id": "01a08793-d059-71b7-8051-231fd05b290e", "title": "Message Passing Network with Iterative Charge Equilibration (MPNICE)", "url": "http://karlleswing.com/2025/05/09/MPNICE.html", "published_at": "2025-05-09T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd118c9ba", "title": "Introducing FEP Protocol Builder", "url": "http://karlleswing.com/2023/08/18/FEP-Protocol-Builder.html", "published_at": "2023-08-18T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd15397aa", "title": "pKa Prediction with Graph Neural Networks", "url": "http://karlleswing.com/2023/04/06/pKa-prediction-with-GNNs.html", "published_at": "2023-04-06T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd1857599", "title": "QRNN for Liquid Electrolyte Simulation", "url": "http://karlleswing.com/2022/08/16/QRNN-liquid-electrolytes.html", "published_at": "2022-08-16T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd27f5808", "title": "Introducing the Charge Recursive Neural Network (QRNN)", "url": "http://karlleswing.com/2022/03/22/QRNN.html", "published_at": "2022-03-22T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd2febb57", "title": "Book Chapter on Active Learning FEP", "url": "http://karlleswing.com/2021/11/19/active-learning-fep-book-chapter.html", "published_at": "2021-11-19T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd3189d31", "title": "Efficient Exploration with Docking and Deep Learning", "url": "http://karlleswing.com/2021/03/21/efficient-exploration-with-docking-and-deep-learning.html", "published_at": "2021-03-21T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd37e7ded", "title": "Shut The Box", "url": "http://karlleswing.com/2020/12/30/Shut-The-Box.html", "published_at": "2020-12-30T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd4283a2c", "title": "Covid Test Pooling", "url": "http://karlleswing.com/2020/06/29/Covid-Test-Pooling.html", "published_at": "2020-06-29T00:00:00+00:00" }, { "id": "01a08793-d059-71b7-8051-231fd527b0e6", "title": "Set Trainer", "url": "http://karlleswing.com/2020/05/03/SetTrainer.html", "published_at": "2020-05-03T00:00:00+00:00" } ] posts Claim your blog

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