Commit Graph

280 Commits

Author SHA1 Message Date
Samuel Sledzieski
01125ef013 Update predict.py 2025-07-21 10:39:38 -04:00
Samuel Sledzieski
c1b88c909f Update evaluate.py 2025-07-21 10:38:35 -04:00
Samuel Sledzieski
724c402b79 Update train.py 2025-07-21 10:24:21 -04:00
Samuel Sledzieski
8b0a7b1735 Update autorun-tests.yml
Update tests to 3.10
2025-07-21 09:41:11 -04:00
Samuel Sledzieski
b4bcfa3664 Update requirements.txt 2025-07-07 11:25:42 -04:00
Samuel Sledzieski
e14c3a27ea Delete .github/workflows/pypi_publish.yml v0.2.8 2024-09-16 09:37:54 -04:00
Samuel Sledzieski
687f5b09a3 Update version, fix model cuda bug 2024-09-16 09:35:49 -04:00
Samuel Sledzieski
f828adda12 Update predict.py 2024-09-15 21:46:29 -04:00
Samuel Sledzieski
e4304a85b0 Update pypi_publish.yml 2024-09-13 12:09:50 -04:00
Samuel Sledzieski
4a82baaa0c Merge pull request #69 from samsledje/huggingface_models
Add HuggingFace support
v0.2.7
2024-09-13 11:35:31 -04:00
Samuel Sledzieski
399a39dd14 Update environment.yml 2024-09-13 11:11:19 -04:00
Samuel Sledzieski
5c30f2ebb2 Update requirements.txt for autobuild 2024-09-13 11:10:18 -04:00
Samuel Sledzieski
2f4c222717 Update documentation to explain hfh 2024-09-13 11:06:30 -04:00
Samuel Sledzieski
bb4ee75a66 Upload models to huggingface hub, update prediction script to take hf path 2024-09-13 11:02:23 -04:00
Samuel Sledzieski
b4fd8b4244 Predict script now doesn't store contact maps by default 2024-09-13 09:46:49 -04:00
Samuel Sledzieski
69eba5e745 Remove symlinks and start huggingface file 2024-09-13 09:38:59 -04:00
Samuel Sledzieski
628917f6d3 Delete data/human_v1.sav 2024-08-10 10:24:39 +02:00
Samuel Sledzieski
f586eb2a15 Add files via upload 2024-08-10 10:20:10 +02:00
Samuel Sledzieski
0955991a27 Update pypi_publish.yml 2023-10-24 11:19:43 -04:00
samsledje
6e28eac2ef add train file with updated 3di file v0.2.6b 2023-10-24 11:01:56 -04:00
samsledje
a56b83c78b add tt3d structure homology notebooks and update test.sh with new 3di file 2023-10-24 10:04:11 -04:00
Samuel Sledzieski
eae3112b25 Merge pull request #59 from samsledje/kapil-Oct24-update
R notebooks added for baseline sequence-based analysis
2023-10-24 09:34:45 -04:00
Kapil Devkota
504eb53083 R notebooks added for baseline sequence-based analysis 2023-10-24 01:24:22 -04:00
Samuel Sledzieski
6772e2e26a Merge branch 'main' of github.com:samsledje/D-SCRIPT v0.2.6 2023-09-28 16:00:35 -04:00
Samuel Sledzieski
b0ca7aeb33 add tt3d to pretrained 2023-09-28 16:00:07 -04:00
Samuel Sledzieski
6529f1b574 Update .readthedocs.yml 2023-08-28 10:53:03 -07:00
Samuel Sledzieski
64ba521374 Update .readthedocs.yml 2023-08-28 10:37:40 -07:00
Samuel Sledzieski
3c80995021 Update requirements.txt 2023-08-28 10:30:04 -07:00
samsledje
5cefd93122 Add tt3d pretrained model 2023-07-31 12:44:48 -04:00
Samuel Sledzieski
3ea021d0bf Merge pull request #51 from samsledje/tt3d-predict
Tt3d predict: Update predict CLI to incorporate 3Di .fasta file
v0.2.5
2023-07-24 17:35:18 +02:00
samsledje
4e6c0d9b21 debugging foldseek predict 2023-07-24 11:27:08 -04:00
samsledje
8b0b7f5a61 issue #44 update predict and forward signature for foldseek 2023-07-24 09:20:13 -04:00
samsledje
521ade48de update logging and error raising 2023-07-24 08:42:08 -04:00
samsledje
ce46ba69b1 added foldseek prediction, untested 2023-07-24 08:34:48 -04:00
Samuel Sledzieski
a039e730e0 Merge pull request #50 from samsledje/samsledje-patch-1
Update requirements.txt
2023-05-26 13:09:38 -07:00
Samuel Sledzieski
e9fb5b86dc Update requirements.txt 2023-05-26 13:09:16 -07:00
samsledje
cd1fed9887 fix bad linting v0.2.4 2023-05-26 15:13:59 -04:00
Samuel Sledzieski
6668adefa0 Merge pull request #47 from samsledje/kapil-fseek+opt
Kapil fseek+opt
2023-05-26 08:47:28 -07:00
Samuel Sledzieski
e70ee3d7dc Resolve merge conflict 2023-05-26 08:47:11 -07:00
Kapil Devkota
ca04e122a8 Added usage to test.sh 2023-05-25 12:15:39 -04:00
Kapil Devkota
84ceab3843 Removed train_fseek.py for this branch 2023-05-25 12:13:05 -04:00
Kapil Devkota
e2700ce39f Minor housekeeping/refactoring 2023-05-25 12:11:14 -04:00
Kapil Devkota
0d02081ae0 Minor housekeeping/refactoring 2023-05-25 12:04:53 -04:00
Kapil Devkota
dfa984ac90 Minor housekeeping and refactoring 2023-05-25 12:01:13 -04:00
Kapil Devkota
5b3636246c Removed the train_fseek_embed.py file for this branch 2023-05-25 11:40:44 -04:00
Kapil Devkota
34497c0917 Cleaning train.py 2023-05-09 13:46:22 -04:00
samsledje
620bd1f1e1 add extract 3di command 2023-05-09 10:14:43 -04:00
Kapil Devkota
0e9403eab7 Added optimized interaction.py 2023-05-08 01:32:04 -04:00
Kapil Devkota
3afad84144 Added fseek changes 2023-05-08 00:43:40 -04:00
Samuel Sledzieski
2b673b6dc4 Update .readthedocs.yml 2023-04-26 15:21:50 -04:00