{"id":3231,"date":"2023-02-23T09:22:57","date_gmt":"2023-02-23T15:22:57","guid":{"rendered":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/?post_type=tribe_events&#038;p=3231"},"modified":"2023-02-23T09:22:57","modified_gmt":"2023-02-23T15:22:57","slug":"lans-seminar-78","status":"publish","type":"tribe_events","link":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/event\/lans-seminar-78\/","title":{"rendered":"LANS Seminar"},"content":{"rendered":"<p><strong>Seminar Title<\/strong>: Modeling Molecular Interactions with Machine Learning<br \/>\n<strong>Speaker<\/strong>: Hannes St\u00e4rk, PhD Student, MIT<\/p>\n<p><strong>Date\/Time<\/strong>: March 1, 2023 \/ 10:30 AM &#8211; 11:30 AM<br \/>\n<strong>Location<\/strong>: See meeting URL on the cels-seminars website\u00a0(requires Argonne login)<\/p>\n<p><strong>Host<\/strong>: Adrian Maldonado<\/p>\n<hr \/>\n<p><strong>Description<\/strong>: We first provide a high-level overview of different directions in modeling molecular interactions where deep learning methods have already had significant positive real-world impact. Then we focus on the particular task of predicting the structure in which a small molecule binds to a protein as a case study by investigating how we address it with our DiffDock method. DiffDock is a diffusion generative model for predicting binding structures &#8212; a fundamental task in structural biology &#8212; which we will discuss in greater detail.<\/p>\n<p><strong>Bio:<\/strong>\u00a0 Hannes St\u00e4rk is a first-year PhD student at MIT in the CS and AI Laboratory (CSAIL) co-advised by Tommi Jaakkola and Regina Barzilay. He works on geometric deep learning and physics-inspired ML and applications in molecular biology and other physical systems.<\/p>\n<p><em>Please note that the meeting URL for this event can be seen on the <\/em>cels-seminars website<em>, which requires an Argonne login.<\/em><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Seminar Title: Modeling Molecular Interactions with Machine Learning Speaker: Hannes St\u00e4rk, PhD Student, MIT Date\/Time: March 1, 2023 \/ 10:30 AM &#8211; 11:30 AM Location: See meeting URL on the cels-seminars website\u00a0(requires Argonne login) Host: Adrian Maldonado Description: We first &hellip; <a href=\"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/event\/lans-seminar-78\/\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":43,"featured_media":0,"template":"","meta":{"_acf_changed":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"_tribe_events_status":"","_tribe_events_status_reason":"","footnotes":"","_members_access_role":[],"_members_access_error":""},"tags":[],"tribe_events_cat":[2],"class_list":["post-3231","tribe_events","type-tribe_events","status-publish","hentry","tribe_events_cat-seminar","cat_seminar"],"acf":[],"_links":{"self":[{"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/tribe_events\/3231","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/tribe_events"}],"about":[{"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/types\/tribe_events"}],"author":[{"embeddable":true,"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/users\/43"}],"version-history":[{"count":1,"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/tribe_events\/3231\/revisions"}],"predecessor-version":[{"id":3232,"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/tribe_events\/3231\/revisions\/3232"}],"wp:attachment":[{"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/media?parent=3231"}],"wp:term":[{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/tags?post=3231"},{"taxonomy":"tribe_events_cat","embeddable":true,"href":"https:\/\/wordpress.cels.anl.gov\/lans-seminars\/wp-json\/wp\/v2\/tribe_events_cat?post=3231"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}