Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space · HackerPapers discussionshttps://hackerpaper.kaipfister.de/p/1912.05079/Collected HN comments and submissions linking this paper.enMon, 02 Nov 2026 11:16:22 GMTSchrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space — mentioned by comicjkhttps://news.ycombinator.com/item?id=23906966urn:hackerpapers:mention:1912.05079:23906966Tue, 21 Jul 2020 14:20:14 GMT<p>Predicting quantum mechanics energies of molecules using neural networks actually works, and can be used to speed up geometry optimization during drug discovery. See: https://arxiv.org/abs/1912.05079 https://chemrxiv.org/articles/Extending_the_Applicability_of...</p><p><a href="https://hackerpaper.kaipfister.de/p/1912.05079/">Paper and discussion history</a>. A mention is not an endorsement.</p>physics.chem-ph