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swe-agent-fix-#25-56458704

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• ea6aef111c Fix: Batched conditional generation swe-agent-fix-#25-56458704 sweagent 2024-04-11 03:20:38 +00:00
• 929407c605 Add tutorial notebook main aismail3 2024-01-22 14:27:06 +00:00
• 12f7761a89 Pin nglview version for Colab notebook display aismail3 2024-01-18 22:20:36 +00:00
• dfe3862a6b change default sde_func for infilling (issue #24) Wujie Wang 2023-12-01 20:29:56 +00:00
• ca86eaae1f Use tempfile for platform-independent temporary file locations, including cached centering parameters; related to #8, #13, #19 aismail3 2023-11-28 20:24:40 +00:00
• d5f57876ea enforce cuda113 compatibility with torch Wujie Wang 2023-11-20 22:47:21 +00:00
• 25a0983876 update install instruction Wujie Wang 2023-11-20 18:00:51 +00:00
• 8dde16cc8c add pymol reference for selection string Wujie Wang 2023-11-20 17:55:52 +00:00
• 2f3f32a081 HOTFIX: add atom_types to CIF, contributed by @ggrigoryanv Wujie Wang 2023-11-20 17:54:15 +00:00
• 93071cd5a9 more doc on design_selection Wujie Wang 2023-11-17 03:58:04 +00:00
• 81f6612175 fixed a typo in the conditioners section of the README. zcostello 2023-11-15 18:30:19 +00:00
• 3905fb700e Update URL in demo notebook aismail3 2023-11-15 15:35:30 +00:00
• e8ad8a076c Update notebooks aismail3 2023-11-15 15:25:31 +00:00
• 65c8b12fc4 Initial commit Frank Oplinger 2023-11-13 19:16:49 +00:00