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Author	SHA1	Message	Date
Rohith Krishna	72c3329334	ported rdkit to openbabel	2022-08-03 18:12:09 -07:00
Rohith Krishna	8e8e1a4eae	figuring out symmetric configurations	2022-08-03 16:44:44 -07:00
Rohith Krishna	a7f7f41e4f	fixed interface lddt loss	2022-08-02 12:48:40 -07:00
Rohith Krishna	bac7bc3d8b	updated write_pdb to write hetatms	2022-08-01 11:48:30 -07:00
Rohith Krishna	128d1b420e	dev on atom protein representations	2022-08-01 11:12:41 -07:00
Rohith	6eeeb900c6	latest training code	2022-07-29 16:10:14 -07:00
Rohith Krishna	f7679cb34c	ignore BeF2 ligands	2022-07-22 12:32:40 -07:00
Rohith Krishna	7918922868	log interface lddt	2022-07-21 18:18:04 -07:00
Rohith	22cef69fc6	fixed frame offset bug	2022-07-21 15:50:26 -07:00
Rohith Krishna	ea737a454d	fix na complex loading	2022-07-19 11:34:55 -07:00
Rohith Krishna	94f6d81176	fix conflict	2022-07-18 21:14:37 -07:00
Rohith Krishna	a9115273e3	fix res_mask	2022-07-18 21:12:18 -07:00
Rohith	c6d3490ab5	fixed dataloader nan issue	2022-07-15 13:00:30 -07:00
Rohith	5977b949e2	Merge branch 'main' of https://github.com/minkbaek/BFF into main	2022-07-15 08:33:44 -07:00
Rohith Krishna	3307b89e17	added blackhole for missing coords	2022-07-15 08:32:39 -07:00
Rohith	9e2091ab6c	Merge branch 'main' of https://github.com/minkbaek/BFF into main	2022-07-14 23:27:59 -07:00
Rohith	ec342dfc45	set up AWS training parameters	2022-07-14 23:27:47 -07:00
Rohith Krishna	d45610cb93	fix bug in get_atom_frames	2022-07-14 23:24:13 -07:00
Rohith Krishna	f9f7c5365e	fix L_s	2022-07-13 14:22:40 -07:00
Rohith Krishna	13edef80c3	remove log file	2022-07-13 11:17:26 -07:00
Rohith Krishna	53d0d25615	fix typo	2022-07-13 11:16:50 -07:00
Rohith Krishna	0fb2a2c380	updated gitignore	2022-07-12 16:02:03 -07:00
Rohith Krishna	0f7d4f6939	created new folder for all atom	2022-07-11 00:48:54 -07:00