Commit Graph

20 Commits

Author SHA1 Message Date
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
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