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Author SHA1 Message Date
Joseph Watson
c68e28db22 Updated README 2023-09-13 17:15:03 -07:00
Joseph Watson
7bdc90c9b7 Implemented inpaint_str and added example 2023-09-13 16:25:35 -07:00
Joseph Watson
ba8446eae0 Added input pdb for p53 case 2023-07-25 10:47:14 -07:00
Joseph Watson
47b738f604 Added p53 scaffolding example 2023-07-25 10:47:14 -07:00
Javier Castellanos
9149e5395a Fixed incorrect variable name in contig parsing 2023-07-25 10:16:40 -07:00
Sergey Lyskov
5606075d45 updating rosetta-ci test script, adding unpacking ppi scaffolds 2023-06-28 08:59:51 -07:00
Rocco Moretti
9da13dc5b3 Update install instructions for model directory location. 
Be more specific about the location of the models directory.

Addresses issue #80
 2023-06-27 08:38:38 -07:00
Nick Randolph
b4f4c264a7 Fixed model_only_neighbors typo 2023-06-22 10:03:14 -07:00
Nick Randolph
8810bf28e5 Swapped SymGen arguments 2023-06-22 10:03:14 -07:00
Sergey Lyskov
25e9cda154 adding pdb-diff prefix to comparison test names 2023-06-01 12:41:09 -07:00
Sergey Lyskov
471b36ebe8 adding pdb-diff prefix to comparison test names 2023-06-01 12:41:09 -07:00
Sergey Lyskov
3ae829475d adding .rosetta-ci dir to GitHub code-owners file 2023-06-01 12:41:09 -07:00
Sergey Lyskov
a191281e97 updating test config 2023-06-01 12:41:09 -07:00
Sergey Lyskov
58c310a66a adding accounting of comparisons results 2023-06-01 12:41:09 -07:00
Sergey Lyskov
ba4a76af81 updating test-suite result calculation 2023-06-01 12:41:09 -07:00
Sergey Lyskov
74bdf45cb5 updating test-sets 2023-06-01 12:41:09 -07:00
Sergey Lyskov
9bb4c568d3 updating test files 2023-06-01 12:41:09 -07:00
Sergey Lyskov
060347773f updating test_diffusion script 2023-06-01 12:41:09 -07:00
Sergey Lyskov
711e0b7aff adding test_diffusion.py 2023-06-01 12:41:09 -07:00
Sergey Lyskov
db2997d237 updating test scripts 2023-06-01 12:41:09 -07:00
Sergey Lyskov
d9fd60c756 updating test files 2023-06-01 12:41:09 -07:00
Sergey Lyskov
6cf803f5cb adding rosetta-ci 2023-06-01 12:41:09 -07:00
Rocco Moretti
06ae1cbcaf Finalize removing icecream as a dependency. 
Icecream was removed from the installation dependencies, but was still being imported (but not used).
 2023-05-30 03:45:50 -07:00
tmsincomb
e783762568 changed --parents to -p to be used by each OS 2023-05-30 03:44:43 -07:00
Joseph Watson
5f924fe2e3 Added examples, and updated README 2023-05-05 16:43:02 -07:00
Joseph Watson
0d629aa672 Code cleaning suggestions from arogozhnikov 2023-05-05 16:43:02 -07:00
Joseph Watson
5c6f2f1b14 Made necessary changes for integration tests based on example submissions 2023-05-05 16:43:02 -07:00
ISDementyev
49b9245204 Fixed 2 typos 2023-05-02 19:04:43 -07:00
Ryan Henderson
10fdde9d25 fix output directory for multipleseq example 2023-04-26 09:07:58 -07:00
Ryan Henderson
bee4a9a5c7 cleanup readme 2023-04-26 09:07:58 -07:00
Ryan Henderson
7b3cc0f682 add example of partial diffusion with multiple sequences 2023-04-26 09:07:58 -07:00
Ryan Henderson
7d725cedcd Update README.md 2023-04-26 09:07:58 -07:00
Ryan Henderson
e0d10814d2 fix provide_seq contig processing to allow multiple sequences 2023-04-26 09:07:58 -07:00
Jungsub Lim
a9be807e06 Update README.md 
A10-25 would mean ('A',10),('A',11)...('A',25) rather than ('A',1),('A',2)...('A',10)
 2023-04-25 16:05:59 -07:00
Brian Loyal
3139977cdb Add instructions for running the Docker container 2023-04-21 13:10:10 -07:00
Brian Loyal
afcee27eed Add Dockerfile with usage instructions 2023-04-21 13:10:10 -07:00
Brian Loyal
487c72068a Add script to download model files 2023-04-21 13:10:10 -07:00
Brian Loyal
3e6eb96e35 Switch setup.py from distutils to setuptools 2023-04-21 13:10:10 -07:00
Nathaniel Bennett
92b83decf3 Add verbose checking for GPU 2023-04-14 13:05:24 -07:00
David Juergens
6adcf18465 Update README.md 2023-04-14 13:04:08 -07:00
Joseph Watson
7aa9cde82a README updates, as suggested by jsrimr and eltociear 2023-04-05 10:40:06 -07:00
BrandonFrenz
a23be87268 changed the readme which refers to the variable ppi.hotspots to what seems to be the correct name, ppi.hotspot_res 2023-04-05 10:36:56 -07:00
Nathaniel Bennett
a1a605f8bb README updates 
Added more detail to binder design section and added a note on CUDA compatibility to the env installation section.
 2023-04-03 17:21:11 -07:00
Sam DeLuca
9273ef6733 committing the import fix agin v1.1.0 2023-04-03 14:33:05 -07:00
Sam DeLuca
0a452aba62 more path updates in the readme 2023-04-03 14:33:05 -07:00
Sam DeLuca
94fb2d8d1c restructuring library as a python module 2023-04-03 14:33:05 -07:00
Nathaniel Bennett
a907d70c46 Added README section on advice for binder design 2023-03-31 16:20:52 -07:00
Joseph Watson
bf42b54c20 Parser fix for pdbs missing a Ca atom v1.0.0 2023-03-31 15:25:09 -07:00
Jason Yim
3c27bad281 Add table of contents 2023-03-31 09:07:28 -07:00
Nathaniel Bennett
5b3a7eeaff Add conda-forge to SE3nv.yml 2023-03-31 08:15:44 -07:00