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Author	SHA1	Message	Date
Kevin Wu	a6c3862353	Unused script cleanup v0.0.1	2023-12-12 09:51:51 -08:00
Kevin Wu	69cd4f57eb	Remove debugging plots	2023-12-12 09:46:48 -08:00
Kevin Wu	37d0a6da88	REplace reconstruction barplot with boxplot.	2023-12-12 09:22:18 -08:00
Kevin Wu	ac28993b0a	Add plot of designability by secondary structure	2023-10-29 20:09:47 -07:00
Kevin Wu	36e83beec2	Relaxation plots	2023-10-25 22:04:16 -07:00
Kevin Wu	e3c18d1a11	Improvements to TMscore script interface	2023-10-22 21:30:20 -07:00
Kevin Wu	fb5bc22929	Ability to specify threads	2023-10-22 16:28:08 -07:00
Kevin Wu	d0dcbc3b6c	Wrapper to run FASPR	2023-10-22 16:27:31 -07:00
Kevin Wu	5c95c4ab47	Report num parameters	2023-10-22 00:15:17 -07:00
Kevin Wu	c5dc66c90a	Add usage for VDW	2023-10-21 19:51:38 -07:00
Kevin Wu	88bdb63574	Tweak tmalign library to have basic functionality as a script	2023-10-21 15:29:38 -07:00
Kevin Wu	d402f6655d	Simple wrapper for pyrosetta structure relaxation	2023-10-21 13:59:58 -07:00
Kevin Wu	c29a9a7422	Update plots	2023-09-29 17:23:19 -07:00
Kevin Wu	a5c35330a7	Update plot labels	2023-09-29 17:05:10 -07:00
Kevin Wu	b168f294d4	Swap panel ordering	2023-09-27 23:04:24 -07:00
Kevin Wu	36c36101a1	Update scissor effect plots	2023-09-27 22:40:01 -07:00
Kevin Wu	d35cd38f86	Update test set denoising result	2023-09-27 21:04:48 -07:00
Kevin Wu	3f910a61e8	Update plots	2023-09-24 17:27:11 -07:00
Kevin Wu	1528d844ba	Add plDDT plots	2023-09-24 17:23:26 -07:00
Kevin Wu	b1cb68729d	Update generation time plots	2023-09-19 23:21:02 -07:00
Kevin Wu	21ef7d1a31	Update lever plots	2023-09-19 00:41:14 -07:00
Kevin Wu	b709372f97	Update UMAP plots	2023-09-17 20:34:59 -07:00
Kevin Wu	110b6ec577	Update visualization	2023-09-17 19:29:06 -07:00
Kevin Wu	c9e36e2acb	Typo fix	2023-09-17 18:49:42 -07:00
Kevin Wu	a028edbbf3	Plot update	2023-09-17 16:47:28 -07:00
Kevin Wu	64a9726c14	Plot update	2023-09-17 16:19:45 -07:00
Kevin Wu	4ccb15b07f	Plot update	2023-09-17 16:19:14 -07:00
Kevin Wu	f472731d50	Add plot looking at sctm vs len continuous	2023-09-17 16:16:16 -07:00
Kevin Wu	5fc12767e8	Add plot describing generation time	2023-09-17 14:26:36 -07:00
Kevin Wu	8e784add04	Speed up sampling by truncating input padding regions.	2023-09-17 12:18:44 -07:00
Kevin Wu	b59a937c9a	Lever effect analysis.	2023-09-09 20:49:33 -07:00
Kevin Wu	a2cf8b57cd	Update plots	2023-09-09 20:39:33 -07:00
Kevin Wu	95b2a00f26	GIT UMAP plots	2023-09-09 20:38:14 -07:00
Kevin Wu	612efe49fb	Better handling of inputs	2023-09-07 14:47:45 -07:00
Kevin Wu	e917c2843d	Update animation	2023-09-06 10:36:25 -07:00
Kevin Wu	edb66ac711	Updates to pymol visualization	2023-09-05 23:25:24 -07:00
Kevin Wu	b9706eaf20	Script to add oxygen to backbone	2023-09-05 22:54:54 -07:00
Kevin Wu	818ec9c38d	Code to check for van der waals clashes	2023-09-04 23:04:30 -07:00
Kevin Wu	ed7a27d8e4	Add SuperBio link	2023-06-20 11:47:31 -07:00
Kevin Wu	7f65baf0d4	Scipt-ify lddt	2023-06-08 11:09:15 -07:00
Kevin Wu	44e7b9f3b8	Code to calculate lddt	2023-06-07 15:03:07 -07:00
Kevin Wu	e2d1a86cfd	Update README	2023-04-28 11:57:06 -07:00
Kevin Wu	12fa730caf	Vectorize some code, fix some bugs	2023-04-13 10:54:44 -07:00
Kevin Wu	902b0301d2	Write out the names of all files used in training splits	2023-03-30 13:51:13 -07:00
Kevin Wu	106b3632ac	Update gromacs script to add a constant amount of water	2023-03-30 13:50:45 -07:00
Kevin Wu	c5a557e8fa	Fix inverted filenames	2023-03-30 12:03:50 -07:00
Kevin Wu	6dbb3117f6	Improved error handling	2023-03-29 10:41:27 -07:00
Kevin Wu	372ec85564	Path fixes	2023-03-09 23:35:17 -08:00
Kevin Wu	403e747368	Multi input support for docker wrapper	2023-03-09 23:02:19 -08:00
Kevin Wu	fe45834ae7	Misc. improvements to file naming	2023-03-09 22:51:02 -08:00